(2S)-3-[2-(3-azanyl-4-methyl-phenyl)benzimidazol-1-yl]propane-1,2-diol

Systemtic Name: (2S)-3-[2-(3-azanyl-4-methyl-phenyl)benzimidazol-1-yl]propane-1,2-diol Openeye Name: (2S)-3-[2-(3-amino-4-methyl-phenyl)benzimidazol-1-yl]propane-1,2-diol CAS Name: (2S)-3-[2-(3-amino-4-methylphenyl)-1-benzimidazolyl]propane-1,2-diol IUPAC Name: (2S)-3-[2-(3-amino-4-methylphenyl)benzimidazol-1-yl]propane-1,2-diol Traditional Name: (2S)-3-[2-(3-amino-4-methyl-phenyl)benzimidazol-1-yl]propane-1,2-diol Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2CC(CO)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2C[C@@H](CO)O)N

InChI

InChI=1S/C17H19N3O2/c1-11-6-7-12(8-14(11)18)17-19-15-4-2-3-5-16(15)20(17)9-13(22)10-21/h2-8,13,21-22H,9-10,18H2,1H3/t13-/m0/s1