4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: 4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: 3-(benzylammonio)-4-(4-ethoxycarbonylanilino)-4-oxo-butanoate CAS Name: 4-(4-ethoxycarbonylanilino)-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: 3-(benzylazaniumyl)-4-(4-ethoxycarbonylanilino)-4-oxobutanoate Traditional Name: 3-(benzylammonio)-4-(4-carbethoxyanilino)-4-keto-butyrate Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-2-27-20(26)15-8-10-16(11-9-15)22-19(25)17(12-18(23)24)21-13-14-6-4-3-5-7-14/h3-11,17,21H,2,12-13H2,1H3,(H,22,25)(H,23,24)