4-[[2-[(1S)-1-azanylethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-[(1S)-1-azanylethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-[(1S)-1-aminoethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-[(1S)-1-aminoethyl]-5,6-dimethyl-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-[(1S)-1-aminoethyl]-5,6-dimethylbenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-[(1S)-1-aminoethyl]-5,6-dimethyl-benzimidazol-1-yl]methyl]benzoic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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