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

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)N4CCCC5=CC=CC=C54

InChI

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