[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-3-18(16-9-7-14(2)8-10-16)22-19(23)13-25-20(24)17-6-4-5-15(11-17)12-21/h4-11,18H,3,13H2,1-2H3,(H,22,23)/t18-/m1/s1