3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-(1-imidazolylmethyl)-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)CN4C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=CC(=C3)C(=O)O)CN4C=CN=C4

InChI

InChI=1S/C20H17N3O2/c24-20(25)16-5-3-4-15(10-16)11-23-13-17(12-22-9-8-21-14-22)18-6-1-2-7-19(18)23/h1-10,13-14H,11-12H2,(H,24,25)