4-[2-[4-(2-azanylethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[4-(2-azanylethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-oxo-butanoic acid CAS Name: 4-[2-[4-(2-aminoethyl)phenyl]-1-methyl-5-benzimidazolyl]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(2-aminoethyl)phenyl]-1-methylbenzimidazol-5-yl]-4-oxobutanoic acid Traditional Name: 4-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-4-keto-butyric acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CCC(=O)O)N=C1C3=CC=C(C=C3)CCN

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CCC(=O)O)N=C1C3=CC=C(C=C3)CCN

InChI

InChI=1S/C20H21N3O3/c1-23-17-7-6-15(18(24)8-9-19(25)26)12-16(17)22-20(23)14-4-2-13(3-5-14)10-11-21/h2-7,12H,8-11,21H2,1H3,(H,25,26)