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

Systemtic Name: 4-[2-[4,4-dimethyl-2-oxidanylidene-1-(phenylmethyl)-3H-quinolin-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-(1-benzyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-[4,4-dimethyl-2-oxo-1-(phenylmethyl)-3H-quinolin-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-(1-benzyl-4,4-dimethyl-2-oxo-3H-quinolin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(1-benzyl-2-keto-4,4-dimethyl-3H-quinolin-6-yl)ethynyl]benzoic acid Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=O)N(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H23NO3/c1-27(2)17-25(29)28(18-21-6-4-3-5-7-21)24-15-12-20(16-23(24)27)9-8-19-10-13-22(14-11-19)26(30)31/h3-7,10-16H,17-18H2,1-2H3,(H,30,31)