[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(3,4-dihydro-2H-quinoline-1-carbonyl)propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-(3,4-dihydro-2H-quinoline-1-carbonyl)propyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c1-2-24(26(31)30-16-8-12-18-9-6-7-13-23(18)30)33-27(32)20-14-15-21-22(17-20)29-25(28-21)19-10-4-3-5-11-19/h3-7,9-11,13-15,17,24H,2,8,12,16H2,1H3,(H,28,29)