[4-(4-bromophenyl)-4-oxidanylidene-butyl] quinoline-2-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] quinoline-2-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C20H16BrNO3 MolecularWeight: 398.24994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrNO3/c21-16-10-7-15(8-11-16)19(23)6-3-13-25-20(24)18-12-9-14-4-1-2-5-17(14)22-18/h1-2,4-5,7-12H,3,6,13H2