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

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-phenoxybutanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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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)CCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4/c1-19-15-16-20(2)23(18-19)27-26(29)25(21-10-5-3-6-11-21)31-24(28)14-9-17-30-22-12-7-4-8-13-22/h3-8,10-13,15-16,18,25H,9,14,17H2,1-2H3,(H,27,29)/t25-/m0/s1