U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N2O4
Molecular Weight 314.3358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-PROPANEDIOL BIS(4-AMINOBENZOATE)

SMILES

NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C2=CC=C(N)C=C2

InChI

InChIKey=YPACMOORZSDQDQ-UHFFFAOYSA-N
InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2

HIDE SMILES / InChI

Molecular Formula C17H18N2O4
Molecular Weight 314.3358
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
8860R9ORQR
Record Status Validated (UNII)
Record Version