[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O4/c1-15-5-3-6-19(13-15)26-12-4-7-20(24)27-16(2)21(25)23-18-10-8-17(14-22)9-11-18/h3,5-6,8-11,13,16H,4,7,12H2,1-2H3,(H,23,25)/t16-/m1/s1