(3S)-3-azaniumyl-4-oxidanylidene-4-[(4-phenylmethoxyphenyl)amino]butanoate

Systemtic Name: (3S)-3-azaniumyl-4-oxidanylidene-4-[(4-phenylmethoxyphenyl)amino]butanoate Openeye Name: (3S)-3-azaniumyl-4-(4-benzyloxyanilino)-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-oxo-4-(4-phenylmethoxyanilino)butanoate IUPAC Name: (3S)-3-azaniumyl-4-oxo-4-(4-phenylmethoxyanilino)butanoate Traditional Name: (3S)-3-ammonio-4-(4-benzoxyanilino)-4-keto-butyrate Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C17H18N2O4/c18-15(10-16(20)21)17(22)19-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,22)(H,20,21)/t15-/m0/s1