(1R,6R)-6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(4-pyridylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[oxo-[4-(pyridin-4-ylmethyl)anilino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[4-(4-pyridylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H19N2O3- MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C20H20N2O3/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/h1-2,5-12,17-18H,3-4,13H2,(H,22,23)(H,24,25)/p-1/t17-,18-/m1/s1