4-[[1-methyl-4-oxidanylidene-6-(3-phenylbut-1-ynyl)quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[1-methyl-4-oxidanylidene-6-(3-phenylbut-1-ynyl)quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-4-oxo-6-(3-phenylbut-1-ynyl)-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[1-methyl-4-oxo-6-(3-phenylbut-1-ynyl)-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-4-oxo-6-(3-phenylbut-1-ynyl)quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-1-methyl-6-(3-phenylbut-1-ynyl)-3-quinolyl]methyl]benzoic acid Formula: C28H23NO3 MolecularWeight: 421.48712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=C(C=C1)N(C=C(C2=O)CC3=CC=C(C=C3)C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CC(C#CC1=CC2=C(C=C1)N(C=C(C2=O)CC3=CC=C(C=C3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO3/c1-19(22-6-4-3-5-7-22)8-9-21-12-15-26-25(17-21)27(30)24(18-29(26)2)16-20-10-13-23(14-11-20)28(31)32/h3-7,10-15,17-19H,16H2,1-2H3,(H,31,32)