(1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 6-bromo-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-ethyl-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 6-bromo-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-phthalimidophenyl)cinchoninic acid 1-benzoylbutyl ester Formula: C37H29BrN2O5 MolecularWeight: 661.54056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)CC)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)Br)CC)C4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C37H29BrN2O5/c1-3-10-32(34(41)24-11-6-5-7-12-24)45-37(44)30-21-31(39-33-22(4-2)19-25(38)20-29(30)33)23-15-17-26(18-16-23)40-35(42)27-13-8-9-14-28(27)36(40)43/h5-9,11-21,32H,3-4,10H2,1-2H3