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

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H30ClNO7 MolecularWeight: 527.9933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C28H30ClNO7/c1-5-34-23-15-19(16-24(35-6-2)26(23)36-7-3)28(32)37-25(18-11-9-8-10-12-18)27(31)30-20-13-14-22(33-4)21(29)17-20/h8-17,25H,5-7H2,1-4H3,(H,30,31)/t25-/m0/s1