4-[[2-(imidazol-1-ylmethyl)pyrrol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(imidazol-1-ylmethyl)pyrrol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(imidazol-1-ylmethyl)pyrrol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(1-imidazolylmethyl)-1-pyrrolyl]methyl]benzoic acid IUPAC Name: 4-[[2-(imidazol-1-ylmethyl)pyrrol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(imidazol-1-ylmethyl)pyrrol-1-yl]methyl]benzoic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)CN2C=CN=C2)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CN(C(=C1)CN2C=CN=C2)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H15N3O2/c20-16(21)14-5-3-13(4-6-14)10-19-8-1-2-15(19)11-18-9-7-17-12-18/h1-9,12H,10-11H2,(H,20,21)