3-[[2-[(1S)-1-azanylethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-[(1S)-1-azanylethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-[(1S)-1-aminoethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 3-[[2-[(1S)-1-aminoethyl]-5,6-dimethyl-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 3-[[2-[(1S)-1-aminoethyl]-5,6-dimethylbenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-[(1S)-1-aminoethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)C(C)N)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)[C@H](C)N)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H21N3O2/c1-11-7-16-17(8-12(11)2)22(18(21-16)13(3)20)10-14-5-4-6-15(9-14)19(23)24/h4-9,13H,10,20H2,1-3H3,(H,23,24)/t13-/m0/s1