[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-(6-methoxy-2-naphthyl)-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-(6-methoxy-2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-keto-2-(6-methoxy-2-naphthyl)ethyl] ester Formula: C29H20BrNO4 MolecularWeight: 526.3774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H20BrNO4/c1-34-23-12-11-18-13-21(10-9-19(18)15-23)28(32)17-35-29(33)25-16-27(20-5-4-6-22(30)14-20)31-26-8-3-2-7-24(25)26/h2-16H,17H2,1H3