6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclohexen-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclohexen-1-yl]pyridine-2-carboxylic acid Openeye Name: 6-[2-(2-benzyloxy-5-bromo-phenyl)cyclohexen-1-yl]pyridine-2-carboxylic acid CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)-1-cyclohexenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylic acid Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)cyclohexen-1-yl]picolinic acid Formula: C25H22BrNO3 MolecularWeight: 464.35108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=C(C1)C2=NC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22BrNO3/c26-18-13-14-24(30-16-17-7-2-1-3-8-17)21(15-18)19-9-4-5-10-20(19)22-11-6-12-23(27-22)25(28)29/h1-3,6-8,11-15H,4-5,9-10,16H2,(H,28,29)