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

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3,5-dimethylbenzoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3/c1-16-10-11-19(4)22(15-16)26-24(27)23(20-8-6-5-7-9-20)29-25(28)21-13-17(2)12-18(3)14-21/h5-15,23H,1-4H3,(H,26,27)/t23-/m0/s1