[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H24ClNO7 MolecularWeight: 485.91356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)Cl

InChI

InChI=1S/C25H24ClNO7/c1-30-19-11-10-17(14-18(19)26)27-24(28)22(15-8-6-5-7-9-15)34-25(29)16-12-20(31-2)23(33-4)21(13-16)32-3/h5-14,22H,1-4H3,(H,27,28)/t22-/m0/s1