5-[2-[5-bromanyl-2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[2-[5-bromanyl-2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[2-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[2-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-1-cyclopentenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[2-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[2-(5-bromo-2-p-anisyloxy-phenyl)cyclopenten-1-yl]nicotinic acid Formula: C25H22BrNO4 MolecularWeight: 480.35048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=C(CCC3)C4=CC(=CN=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=C(CCC3)C4=CC(=CN=C4)C(=O)O

InChI

InChI=1S/C25H22BrNO4/c1-30-20-8-5-16(6-9-20)15-31-24-10-7-19(26)12-23(24)22-4-2-3-21(22)17-11-18(25(28)29)14-27-13-17/h5-14H,2-4,15H2,1H3,(H,28,29)