(1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-chloranyl-quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 2-[4-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-8-chloranyl-quinoline-4-carboxylate Openeye Name: 1-benzoylbutyl 8-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate CAS Name: 8-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 8-chloro-2-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: 8-chloro-2-[4-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]cinchoninic acid 1-benzoylbutyl ester Formula: C35H31ClN2O5 MolecularWeight: 595.08404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)N5C(=O)C6CCCCC6C5=O

InChI

InChI=1S/C35H31ClN2O5/c1-2-9-30(32(39)22-10-4-3-5-11-22)43-35(42)27-20-29(37-31-24(27)14-8-15-28(31)36)21-16-18-23(19-17-21)38-33(40)25-12-6-7-13-26(25)34(38)41/h3-5,8,10-11,14-20,25-26,30H,2,6-7,9,12-13H2,1H3