(2S)-4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(3,4-dimethoxyanilino)-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-(3,4-dimethoxyanilino)-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(3,4-dimethoxyanilino)-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-(3,4-dimethoxyanilino)-4-keto-2-phenyl-butyrate Formula: C18H18NO5- MolecularWeight: 328.33922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC(C2=CC=CC=C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OC

InChI

InChI=1S/C18H19NO5/c1-23-15-9-8-13(10-16(15)24-2)19-17(20)11-14(18(21)22)12-6-4-3-5-7-12/h3-10,14H,11H2,1-2H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1