3-(5-azanylbenzimidazol-1-yl)-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-(5-azanylbenzimidazol-1-yl)-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-(5-aminobenzimidazol-1-yl)-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-(5-amino-1-benzimidazolyl)-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(5-aminobenzimidazol-1-yl)-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-(5-aminobenzimidazol-1-yl)-3-(4-methoxyphenyl)propionic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)N

InChI

InChI=1S/C17H17N3O3/c1-23-13-5-2-11(3-6-13)16(9-17(21)22)20-10-19-14-8-12(18)4-7-15(14)20/h2-8,10,16H,9,18H2,1H3,(H,21,22)