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

Systemtic Name: [(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3OC)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3OC)OC)OC)C

InChI

InChI=1S/C26H27NO6/c1-16-11-17(2)13-19(12-16)27-25(28)24(18-9-7-6-8-10-18)33-26(29)20-14-22(31-4)23(32-5)15-21(20)30-3/h6-15,24H,1-5H3,(H,27,28)/t24-/m0/s1