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

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-propan-2-ylbenzoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H27NO3 MolecularWeight: 401.49748

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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=C(C=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO3/c1-17(2)20-12-14-22(15-13-20)26(29)30-24(21-8-6-5-7-9-21)25(28)27-23-16-18(3)10-11-19(23)4/h5-17,24H,1-4H3,(H,27,28)/t24-/m0/s1