[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)OC(C)C(=O)NC2(CCCCC2)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N)Cl

InChI

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