4-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-(1-imidazolylmethyl)-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-(imidazol-1-ylmethyl)indol-1-yl]methyl]benzoic acid Traditional Name: 4-[[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=C(C=C3)C(=O)O)CN4C=CN=C4

Isomeric SMILES

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

InChI

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