[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(5-chloranyl-2-methoxy-phenyl)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(5-chloro-2-methoxy-phenyl)acetate CAS Name: 2-(5-chloro-2-methoxyphenyl)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate Traditional Name: 2-(5-chloro-2-methoxy-phenyl)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O4/c1-14(19(25)23(2)20(13-22)9-5-4-6-10-20)27-18(24)12-15-11-16(21)7-8-17(15)26-3/h7-8,11,14H,4-6,9-10,12H2,1-3H3/t14-/m1/s1