methyl 1-butyl-2-oxidanylidene-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylate

Systemtic Name: methyl 1-butyl-2-oxidanylidene-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylate Openeye Name: methyl 1-butyl-2-oxo-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylate CAS Name: 1-butyl-2-oxo-3-[4-[(2-propyl-1-benzimidazolyl)methyl]phenyl]-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-2-oxo-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]quinoline-4-carboxylate Traditional Name: 1-butyl-2-keto-3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]cinchoninic acid methyl ester Formula: C32H33N3O3 MolecularWeight: 507.62272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=C4CCC)C(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=C4CCC)C(=O)OC

InChI

InChI=1S/C32H33N3O3/c1-4-6-20-34-26-14-9-7-12-24(26)30(32(37)38-3)29(31(34)36)23-18-16-22(17-19-23)21-35-27-15-10-8-13-25(27)33-28(35)11-5-2/h7-10,12-19H,4-6,11,20-21H2,1-3H3