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

Systemtic Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyano-benzoic acid Openeye Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyano-benzoic acid CAS Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyanobenzoic acid IUPAC Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyanobenzoic acid Traditional Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-5-cyano-benzoic acid Formula: C26H23N5O2 MolecularWeight: 437.49312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C#N)C(=O)O)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC(C2=C(C1)C=CC=N2)N(CC3=C(C=C(C=C3)C#N)C(=O)O)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H23N5O2/c27-14-17-10-11-19(20(13-17)26(32)33)15-31(16-24-29-21-7-1-2-8-22(21)30-24)23-9-3-5-18-6-4-12-28-25(18)23/h1-2,4,6-8,10-13,23H,3,5,9,15-16H2,(H,29,30)(H,32,33)