[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(3-methylphenoxy)propanoate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [(1R)-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(=CC=C1)OCCC(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H27NO4/c1-18-8-7-11-22(16-18)30-15-14-24(28)31-25(21-9-5-4-6-10-21)26(29)27-23-17-19(2)12-13-20(23)3/h4-13,16-17,25H,14-15H2,1-3H3,(H,27,29)/t25-/m1/s1