ethyl 4-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[5-(1-benzimidazolylmethyl)-2,4-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(benzimidazol-1-ylmethyl)-2,4-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[5-(benzimidazol-1-ylmethyl)-2,4-dimethyl-phenyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3C)C)CN4C=NC5=CC=CC=C54)C(=O)CCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3C)C)CN4C=NC5=CC=CC=C54)C(=O)CCC2)C

InChI

InChI=1S/C29H31N3O3/c1-5-35-29(34)26-19(4)31-23-10-8-12-25(33)28(23)27(26)21-14-20(17(2)13-18(21)3)15-32-16-30-22-9-6-7-11-24(22)32/h6-7,9,11,13-14,16,27,31H,5,8,10,12,15H2,1-4H3