6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-pyridylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[4-(pyridin-4-ylmethyl)anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-pyridylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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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=CCC(C1C(=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)