[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(3-chloranylphenoxy)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(3-chloranylphenoxy)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(3-chlorophenoxy)acetate CAS Name: 2-(3-chlorophenoxy)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate Traditional Name: 2-(3-chlorophenoxy)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)COC2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)COC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H23ClN2O4/c1-14(18(24)22(2)19(13-21)9-4-3-5-10-19)26-17(23)12-25-16-8-6-7-15(20)11-16/h6-8,11,14H,3-5,9-10,12H2,1-2H3/t14-/m1/s1