4-[[2-[(1S)-1-azanyl-3-methyl-butyl]benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-[(1S)-1-azanyl-3-methyl-butyl]benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(1S)-1-amino-3-methyl-butyl]benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(1S)-1-amino-3-methylbutyl]-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(1S)-1-amino-3-methylbutyl]benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(1S)-1-amino-3-methyl-butyl]benzimidazol-1-yl]methyl]benzoic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-13(2)11-16(21)19-22-17-5-3-4-6-18(17)23(19)12-14-7-9-15(10-8-14)20(24)25/h3-10,13,16H,11-12,21H2,1-2H3,(H,24,25)/t16-/m0/s1