[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(3-methoxyphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3-methoxyphenyl)-6-methyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3-methoxyphenyl)-6-methyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C26H20BrNO4 MolecularWeight: 490.3453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H20BrNO4/c1-16-6-11-23-21(12-16)22(14-24(28-23)18-4-3-5-20(13-18)31-2)26(30)32-15-25(29)17-7-9-19(27)10-8-17/h3-14H,15H2,1-2H3