(1S,2R)-2-[phenyl-[(1S)-1-pyridin-2-ylethyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[phenyl-[(1S)-1-pyridin-2-ylethyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[phenyl-[(1S)-1-(2-pyridyl)ethyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-(N-[(1S)-1-(2-pyridinyl)ethyl]anilino)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[phenyl-[(1S)-1-pyridin-2-ylethyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[phenyl-[(1S)-1-(2-pyridyl)ethyl]carbamoyl]cyclohexanecarboxylate Formula: C21H23N2O3- MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)N(C2=CC=CC=C2)C(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)N(C2=CC=CC=C2)C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C21H24N2O3/c1-15(19-13-7-8-14-22-19)23(16-9-3-2-4-10-16)20(24)17-11-5-6-12-18(17)21(25)26/h2-4,7-10,13-15,17-18H,5-6,11-12H2,1H3,(H,25,26)/p-1/t15-,17+,18-/m0/s1