[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C20H20N2O3/c1-13-7-8-17(9-14(13)2)15(3)22-19(23)12-25-20(24)18-6-4-5-16(10-18)11-21/h4-10,15H,12H2,1-3H3,(H,22,23)/t15-/m0/s1