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

Systemtic Name: methyl 4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[3-(1-benzimidazolylmethyl)-2,5-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[3-(benzimidazol-1-ylmethyl)-2,5-dimethyl-phenyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)C)CN4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)C)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O3/c1-16-12-19(14-31-15-29-21-8-5-6-10-23(21)31)17(2)20(13-16)26-25(28(33)34-4)18(3)30-22-9-7-11-24(32)27(22)26/h5-6,8,10,12-13,15,26,30H,7,9,11,14H2,1-4H3