4-[[6-(3-bromanyl-3-phenyl-prop-1-ynyl)-1-methyl-4-oxidanylidene-2,3-dihydroquinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(3-bromanyl-3-phenyl-prop-1-ynyl)-1-methyl-4-oxidanylidene-2,3-dihydroquinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(3-bromo-3-phenyl-prop-1-ynyl)-1-methyl-4-oxo-2,3-dihydroquinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(3-bromo-3-phenylprop-1-ynyl)-1-methyl-4-oxo-2,3-dihydroquinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(3-bromo-3-phenylprop-1-ynyl)-1-methyl-4-oxo-2,3-dihydroquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(3-bromo-3-phenyl-prop-1-ynyl)-4-keto-1-methyl-2,3-dihydroquinolin-3-yl]methyl]benzoic acid Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(=O)C2=C1C=CC(=C2)C#CC(C3=CC=CC=C3)Br)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CC(C(=O)C2=C1C=CC(=C2)C#CC(C3=CC=CC=C3)Br)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H22BrNO3/c1-29-17-22(15-18-7-11-21(12-8-18)27(31)32)26(30)23-16-19(10-14-25(23)29)9-13-24(28)20-5-3-2-4-6-20/h2-8,10-12,14,16,22,24H,15,17H2,1H3,(H,31,32)