[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H26N2O4/c1-15(19(24)22-20(14-21)12-4-3-5-13-20)26-18(23)11-8-16-6-9-17(25-2)10-7-16/h6-7,9-10,15H,3-5,8,11-13H2,1-2H3,(H,22,24)/t15-/m1/s1