[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H21N3O3/c1-15-4-5-16(2)26(15)21-12-8-19(9-13-21)23(28)29-17(3)22(27)25-20-10-6-18(14-24)7-11-20/h4-13,17H,1-3H3,(H,25,27)/t17-/m1/s1