[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)ethanoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C17H20N2O3/c1-12-3-5-13(6-4-12)9-16(21)22-10-15(20)19-17(2,11-18)14-7-8-14/h3-6,14H,7-10H2,1-2H3,(H,19,20)/t17-/m1/s1