methyl 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyano-benzoate

Systemtic Name: methyl 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyano-benzoate Openeye Name: methyl 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyano-benzoate CAS Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyanobenzoic acid methyl ester IUPAC Name: methyl 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyanobenzoate Traditional Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyano-benzoic acid methyl ester Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#N)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#N)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5

InChI

InChI=1S/C27H25N5O2/c1-34-27(33)21-14-18(15-28)11-12-20(21)16-32(17-25-30-22-8-2-3-9-23(22)31-25)24-10-4-6-19-7-5-13-29-26(19)24/h2-3,5,7-9,11-14,24H,4,6,10,16-17H2,1H3,(H,30,31)