6-[2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-(1,1-dimethyl-4-oxo-tetralin-6-yl)ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-(4-keto-1,1-dimethyl-tetralin-6-yl)ethynyl]nicotinic acid Formula: C20H17NO3 MolecularWeight: 319.35388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=NC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=NC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H17NO3/c1-20(2)10-9-18(22)16-11-13(4-8-17(16)20)3-6-15-7-5-14(12-21-15)19(23)24/h4-5,7-8,11-12H,9-10H2,1-2H3,(H,23,24)