[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2(CCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2(CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-16(20(25)24-19-11-7-8-17(14-19)15-23)27-21(26)22(12-5-6-13-22)18-9-3-2-4-10-18/h2-4,7-11,14,16H,5-6,12-13H2,1H3,(H,24,25)/t16-/m1/s1