4-[(3-decoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-decoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-decoxycarbonylanilino)-4-oxo-butanoic acid CAS Name: 4-[3-[decoxy(oxo)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-(3-decoxycarbonylanilino)-4-oxobutanoic acid Traditional Name: 4-(3-decoxycarbonylanilino)-4-keto-butyric acid Formula: C21H31NO5 MolecularWeight: 377.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H31NO5/c1-2-3-4-5-6-7-8-9-15-27-21(26)17-11-10-12-18(16-17)22-19(23)13-14-20(24)25/h10-12,16H,2-9,13-15H2,1H3,(H,22,23)(H,24,25)