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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-bromo-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 6-bromo-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-3-methyl-cinchoninic acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C33H26BrNO5 MolecularWeight: 596.46724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC(=CC=C3)OC)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC(=CC=C3)OC)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H26BrNO5/c1-21-31(33(37)40-20-30(36)24-9-6-10-27(17-24)38-2)28-18-25(34)13-16-29(28)35-32(21)23-11-14-26(15-12-23)39-19-22-7-4-3-5-8-22/h3-18H,19-20H2,1-2H3