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Details

Stereochemistry ACHIRAL
Molecular Formula C30H27N3O4
Molecular Weight 493.5531
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-METHYLPHENYL)METHYL 4'-(4-(((DIAMINOMETHYLIDENE)AMINO)METHYL)BENZOYLOXY)-(1,1'-BIPHENYL)-4-CARBOXYLATE

SMILES

CC1=CC=C(COC(=O)C2=CC=C(C=C2)C3=CC=C(OC(=O)C4=CC=C(CNC(N)=N)C=C4)C=C3)C=C1

InChI

InChIKey=MKDFEVMHDMGMST-UHFFFAOYSA-N
InChI=1S/C30H27N3O4/c1-20-2-4-22(5-3-20)19-36-28(34)25-12-10-23(11-13-25)24-14-16-27(17-15-24)37-29(35)26-8-6-21(7-9-26)18-33-30(31)32/h2-17H,18-19H2,1H3,(H4,31,32,33)

HIDE SMILES / InChI

Molecular Formula C30H27N3O4
Molecular Weight 493.5531
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:30:14 GMT 2025
Edited
by admin
on Mon Mar 31 23:30:14 GMT 2025
Record UNII
659ZY58DY5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-METHYLPHENYL)METHYL 4'-(4-(((DIAMINOMETHYLIDENE)AMINO)METHYL)BENZOYLOXY)-(1,1'-BIPHENYL)-4-CARBOXYLATE
Systematic Name English
NE-2001 FREE BASE
Preferred Name English
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 4'-((4-(((AMINOIMINOMETHYL)AMINO)METHYL)BENZOYL)OXY)-, (4-METHYLPHENYL)METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
9936806
Created by admin on Mon Mar 31 23:30:14 GMT 2025 , Edited by admin on Mon Mar 31 23:30:14 GMT 2025
PRIMARY
CAS
508195-49-1
Created by admin on Mon Mar 31 23:30:14 GMT 2025 , Edited by admin on Mon Mar 31 23:30:14 GMT 2025
PRIMARY
FDA UNII
659ZY58DY5
Created by admin on Mon Mar 31 23:30:14 GMT 2025 , Edited by admin on Mon Mar 31 23:30:14 GMT 2025
PRIMARY