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

Systemtic Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-1-methyl-4-oxo-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-1-methyl-4-oxo-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-1-methyl-4-oxoquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-4-keto-1-methyl-3-quinolyl]methyl]benzoic acid Formula: C27H20BrNO3 MolecularWeight: 486.3566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H20BrNO3/c1-29-17-22(15-20-5-10-21(11-6-20)27(31)32)26(30)24-16-19(9-14-25(24)29)4-2-3-18-7-12-23(28)13-8-18/h5-14,16-17H,3,15H2,1H3,(H,31,32)