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

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-(3,4-dihydro-2H-quinoline-1-carbonyl)propyl 3H-benzimidazole-5-carboxylate CAS Name: 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] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-(3,4-dihydro-2H-quinoline-1-carbonyl)propyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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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=CN4

Isomeric SMILES

CCC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H21N3O3/c1-2-19(20(25)24-11-5-7-14-6-3-4-8-18(14)24)27-21(26)15-9-10-16-17(12-15)23-13-22-16/h3-4,6,8-10,12-13,19H,2,5,7,11H2,1H3,(H,22,23)