(1R,2S)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[[4-(4-pyridylmethyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[oxo-[4-(pyridin-4-ylmethyl)anilino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[[4-(4-pyridylmethyl)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C20H21N2O3- MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C20H22N2O3/c23-19(17-3-1-2-4-18(17)20(24)25)22-16-7-5-14(6-8-16)13-15-9-11-21-12-10-15/h5-12,17-18H,1-4,13H2,(H,22,23)(H,24,25)/p-1/t17-,18+/m0/s1