[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H15ClN2O3/c1-12(15-4-2-3-5-16(15)19)21-17(22)11-24-18(23)14-8-6-13(10-20)7-9-14/h2-9,12H,11H2,1H3,(H,21,22)/t12-/m1/s1