4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]benzoic acid CAS Name: 4-[[2-(1-imidazolyl)-3-methyl-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[(2-imidazol-1-yl-3-methylindol-1-yl)methyl]benzoic acid Traditional Name: 4-[(2-imidazol-1-yl-3-methyl-indol-1-yl)methyl]benzoic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)O)N4C=CN=C4

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)O)N4C=CN=C4

InChI

InChI=1S/C20H17N3O2/c1-14-17-4-2-3-5-18(17)23(19(14)22-11-10-21-13-22)12-15-6-8-16(9-7-15)20(24)25/h2-11,13H,12H2,1H3,(H,24,25)