4-[2-(4,4-dimethyl-2-oxidanylidene-1-propan-2-yl-3H-quinolin-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-2-oxidanylidene-1-propan-2-yl-3H-quinolin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(1-isopropyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(1-isopropyl-2-keto-4,4-dimethyl-3H-quinolin-6-yl)ethynyl]benzoic acid Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CC(C)N1C(=O)CC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C23H23NO3/c1-15(2)24-20-12-9-17(13-19(20)23(3,4)14-21(24)25)6-5-16-7-10-18(11-8-16)22(26)27/h7-13,15H,14H2,1-4H3,(H,26,27)