5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]pyridine-3-carboxylic acid

Systemtic Name: 5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxidanylidene-2,3-dihydroinden-5-yl)oxymethyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-indan-5-yl)oxymethyl]phenyl]pyridine-3-carboxylic acid CAS Name: 5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 5-[3-[(2-cyclopentyl-1-keto-6,7-dimethyl-indan-5-yl)oxymethyl]phenyl]nicotinic acid Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC=CC(=C4)C5=CC(=CN=C5)C(=O)O

Isomeric SMILES

CC1=C(C=C2CC(C(=O)C2=C1C)C3CCCC3)OCC4=CC=CC(=C4)C5=CC(=CN=C5)C(=O)O

InChI

InChI=1S/C29H29NO4/c1-17-18(2)27-22(12-25(28(27)31)20-7-3-4-8-20)13-26(17)34-16-19-6-5-9-21(10-19)23-11-24(29(32)33)15-30-14-23/h5-6,9-11,13-15,20,25H,3-4,7-8,12,16H2,1-2H3,(H,32,33)