[2-methoxy-4-[(1S)-3-oxidanylidene-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl] 4-bromanylbenzoate

Systemtic Name: [2-methoxy-4-[(1S)-3-oxidanylidene-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl] 4-bromanylbenzoate Openeye Name: [2-methoxy-4-[(1S)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-4-[(1S)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl] ester IUPAC Name: [2-methoxy-4-[(1S)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(1S)-3-keto-2,4-dihydro-1H-benzo[f]quinolin-1-yl]-2-methoxy-phenyl] ester Formula: C27H20BrNO4 MolecularWeight: 502.356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)NC3=C2C4=CC=CC=C4C=C3)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2CC(=O)NC3=C2C4=CC=CC=C4C=C3)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H20BrNO4/c1-32-24-14-18(9-13-23(24)33-27(31)17-6-10-19(28)11-7-17)21-15-25(30)29-22-12-8-16-4-2-3-5-20(16)26(21)22/h2-14,21H,15H2,1H3,(H,29,30)/t21-/m0/s1