[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-acetamidophenyl)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-acetamidophenyl)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H27N3O4/c1-15(20(27)24(3)21(14-22)11-5-4-6-12-21)28-19(26)13-17-7-9-18(10-8-17)23-16(2)25/h7-10,15H,4-6,11-13H2,1-3H3,(H,23,25)/t15-/m1/s1