4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoic acid Openeye Name: 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoic acid CAS Name: 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoic acid Traditional Name: 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoic acid Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2/c30-25(31)19-12-10-17(11-13-19)15-29(16-23-27-20-7-1-2-8-21(20)28-23)22-9-3-5-18-6-4-14-26-24(18)22/h1-2,4,6-8,10-14,22H,3,5,9,15-16H2,(H,27,28)(H,30,31)