4-[[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-(1-imidazolylmethyl)-5-methoxy-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-(imidazol-1-ylmethyl)-5-methoxyindol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-(imidazol-1-ylmethyl)-5-methoxy-indol-1-yl]methyl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CN3C=CN=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H19N3O3/c1-27-18-6-7-20-19(10-18)17(12-23-9-8-22-14-23)13-24(20)11-15-2-4-16(5-3-15)21(25)26/h2-10,13-14H,11-12H2,1H3,(H,25,26)