[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-14-7-8-15(2)19(11-14)20(25)9-10-21(26)28-16(3)22(27)24-18-6-4-5-17(12-18)13-23/h4-8,11-12,16H,9-10H2,1-3H3,(H,24,27)/t16-/m1/s1