5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclohexen-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclohexen-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[2-(2-benzyloxy-5-chloro-phenyl)cyclohexen-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclohexenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[2-(2-benzoxy-5-chloro-phenyl)cyclohexen-1-yl]nicotinic acid Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C2=CC(=CN=C2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=C(C1)C2=CC(=CN=C2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22ClNO3/c26-20-10-11-24(30-16-17-6-2-1-3-7-17)23(13-20)22-9-5-4-8-21(22)18-12-19(25(28)29)15-27-14-18/h1-3,6-7,10-15H,4-5,8-9,16H2,(H,28,29)