4-[[2-[(1S)-1-azanylbutyl]benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-[(1S)-1-azanylbutyl]benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(1S)-1-aminobutyl]benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(1S)-1-aminobutyl]-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(1S)-1-aminobutyl]benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(1S)-1-aminobutyl]benzimidazol-1-yl]methyl]benzoic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CCC[C@@H](C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C19H21N3O2/c1-2-5-15(20)18-21-16-6-3-4-7-17(16)22(18)12-13-8-10-14(11-9-13)19(23)24/h3-4,6-11,15H,2,5,12,20H2,1H3,(H,23,24)/t15-/m0/s1