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

Systemtic Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-6-methoxy-benzoic acid Openeye Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-6-methoxy-benzoic acid CAS Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-6-methoxybenzoic acid IUPAC Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-6-methoxybenzoic acid Traditional Name: 2-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-6-methoxy-benzoic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)O)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1C(=O)O)CN(CC2=NC3=CC=CC=C3N2)C4CCCC5=C4N=CC=C5

InChI

InChI=1S/C26H26N4O3/c1-33-22-13-5-8-18(24(22)26(31)32)15-30(16-23-28-19-10-2-3-11-20(19)29-23)21-12-4-7-17-9-6-14-27-25(17)21/h2-3,5-6,8-11,13-14,21H,4,7,12,15-16H2,1H3,(H,28,29)(H,31,32)