4-[3-(2-azanylbenzimidazol-1-yl)propoxy]benzoic acid

Systemtic Name: 4-[3-(2-azanylbenzimidazol-1-yl)propoxy]benzoic acid Openeye Name: 4-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid CAS Name: 4-[3-(2-amino-1-benzimidazolyl)propoxy]benzoic acid IUPAC Name: 4-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid Traditional Name: 4-[3-(2-aminobenzimidazol-1-yl)propoxy]benzoic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCCOC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCCOC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C17H17N3O3/c18-17-19-14-4-1-2-5-15(14)20(17)10-3-11-23-13-8-6-12(7-9-13)16(21)22/h1-2,4-9H,3,10-11H2,(H2,18,19)(H,21,22)