[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,3-dimethylbenzoate

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,3-dimethylbenzoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4/c1-16-13-14-22(29-4)21(15-16)26-24(27)23(19-10-6-5-7-11-19)30-25(28)20-12-8-9-17(2)18(20)3/h5-15,23H,1-4H3,(H,26,27)/t23-/m0/s1