[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-cyclohexylbenzoate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4-cyclohexylbenzoate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-cyclohexylbenzoate CAS Name: 4-cyclohexylbenzoic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 4-cyclohexylbenzoate Traditional Name: 4-cyclohexylbenzoic acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C21H23ClN2O3/c1-14(20(25)24-18-8-5-13-23-19(18)22)27-21(26)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,24,25)/t14-/m1/s1