[(1S,4R)-4-[2-cyanoethanoyl-(phenylmethyl)amino]cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1S,4R)-4-[2-cyanoethanoyl-(phenylmethyl)amino]cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1S,4R)-4-[benzyl-(2-cyanoacetyl)amino]cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1S,4R)-4-[(2-cyano-1-oxoethyl)-(phenylmethyl)amino]-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,4R)-4-[benzyl-(2-cyanoacetyl)amino]cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1S,4R)-4-[benzyl-(2-cyanoacetyl)amino]cyclohex-2-en-1-yl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C=C1)N(CC2=CC=CC=C2)C(=O)CC#N

Isomeric SMILES

CC(=O)O[C@H]1CC[C@H](C=C1)N(CC2=CC=CC=C2)C(=O)CC#N

InChI

InChI=1S/C18H20N2O3/c1-14(21)23-17-9-7-16(8-10-17)20(18(22)11-12-19)13-15-5-3-2-4-6-15/h2-7,9,16-17H,8,10-11,13H2,1H3/t16-,17+/m0/s1