(2S)-2-[(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-propionic acid Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=CNC(CC2=CC=CC=C2)C(=O)O)C=C1

Isomeric SMILES

COC1=CC(=O)C(=CN[C@@H](CC2=CC=CC=C2)C(=O)O)C=C1

InChI

InChI=1S/C17H17NO4/c1-22-14-8-7-13(16(19)10-14)11-18-15(17(20)21)9-12-5-3-2-4-6-12/h2-8,10-11,15,18H,9H2,1H3,(H,20,21)/t15-/m0/s1