3-[2-azanyl-1-[(4-methylphenyl)methyl]benzimidazol-5-yl]propanoic acid

Systemtic Name: 3-[2-azanyl-1-[(4-methylphenyl)methyl]benzimidazol-5-yl]propanoic acid Openeye Name: 3-[2-amino-1-(p-tolylmethyl)benzimidazol-5-yl]propanoic acid CAS Name: 3-[2-amino-1-[(4-methylphenyl)methyl]-5-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-amino-1-[(4-methylphenyl)methyl]benzimidazol-5-yl]propanoic acid Traditional Name: 3-[2-amino-1-(4-methylbenzyl)benzimidazol-5-yl]propionic acid Formula: C18H19N3O2 MolecularWeight: 309.36236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)CCC(=O)O)N=C2N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)CCC(=O)O)N=C2N

InChI

InChI=1S/C18H19N3O2/c1-12-2-4-14(5-3-12)11-21-16-8-6-13(7-9-17(22)23)10-15(16)20-18(21)19/h2-6,8,10H,7,9,11H2,1H3,(H2,19,20)(H,22,23)