4-(1-azanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1-azanyl-4-phenyl-cyclohexa-2,5-dien-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(1-amino-4-phenyl-cyclohexa-2,5-dien-1-yl)-4-oxo-butanoic acid CAS Name: 4-(1-amino-4-phenyl-1-cyclohexa-2,5-dienyl)-4-oxobutanoic acid IUPAC Name: 4-(1-amino-4-phenylcyclohexa-2,5-dien-1-yl)-4-oxobutanoic acid Traditional Name: 4-(1-amino-4-phenyl-cyclohexa-2,5-dien-1-yl)-4-keto-butyric acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=CC(C=C2)(C(=O)CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2C=CC(C=C2)(C(=O)CCC(=O)O)N

InChI

InChI=1S/C16H17NO3/c17-16(14(18)6-7-15(19)20)10-8-13(9-11-16)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7,17H2,(H,19,20)