3-[2-(3-azanyl-4-methyl-phenyl)benzimidazol-1-yl]propanoate

Systemtic Name: 3-[2-(3-azanyl-4-methyl-phenyl)benzimidazol-1-yl]propanoate Openeye Name: 3-[2-(3-amino-4-methyl-phenyl)benzimidazol-1-yl]propanoate CAS Name: 3-[2-(3-amino-4-methylphenyl)-1-benzimidazolyl]propanoate IUPAC Name: 3-[2-(3-amino-4-methylphenyl)benzimidazol-1-yl]propanoate Traditional Name: 3-[2-(3-amino-4-methyl-phenyl)benzimidazol-1-yl]propionate Formula: C17H16N3O2- MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2CCC(=O)[O-])N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2CCC(=O)[O-])N

InChI

InChI=1S/C17H17N3O2/c1-11-6-7-12(10-13(11)18)17-19-14-4-2-3-5-15(14)20(17)9-8-16(21)22/h2-7,10H,8-9,18H2,1H3,(H,21,22)/p-1