[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN2O4/c1-22(13-24,15-8-9-15)25-19(26)12-29-21(28)18-5-3-2-4-17(18)20(27)14-6-10-16(23)11-7-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,25,26)/t22-/m0/s1