2-[4-(1H-benzimidazol-2-ylmethyl)-3-propyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-3-propyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-3-propyl-benzoyl]benzoic acid CAS Name: 2-[[4-(1H-benzimidazol-2-ylmethyl)-3-propylphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-3-propylbenzoyl]benzoic acid Traditional Name: 2-[4-(1H-benzimidazol-2-ylmethyl)-3-propyl-benzoyl]benzoic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2C(=O)O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2C(=O)O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H22N2O3/c1-2-7-16-14-18(24(28)19-8-3-4-9-20(19)25(29)30)13-12-17(16)15-23-26-21-10-5-6-11-22(21)27-23/h3-6,8-14H,2,7,15H2,1H3,(H,26,27)(H,29,30)