naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate Openeye Name: 1-naphthylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-4-quinolinecarboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)cinchoninic acid 1-naphthylmethyl ester Formula: C27H18BrNO2 MolecularWeight: 468.34132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H18BrNO2/c28-21-14-12-19(13-15-21)26-16-24(23-10-3-4-11-25(23)29-26)27(30)31-17-20-8-5-7-18-6-1-2-9-22(18)20/h1-16H,17H2