(3S)-4-[(4-methoxyphenyl)methylamino]-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[(4-methoxyphenyl)methylamino]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxo-butanoic acid CAS Name: (3S)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-hydroxy-4-[(4-methoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-hydroxy-4-keto-4-(p-anisylamino)butyric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H](CC(=O)O)O

InChI

InChI=1S/C12H15NO5/c1-18-9-4-2-8(3-5-9)7-13-12(17)10(14)6-11(15)16/h2-5,10,14H,6-7H2,1H3,(H,13,17)(H,15,16)/t10-/m0/s1