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

Systemtic Name: 5-[2-[4-(2-azanylethyl)phenyl]-1-methyl-benzimidazol-5-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-5-oxo-pentanoic acid CAS Name: 5-[2-[4-(2-aminoethyl)phenyl]-1-methyl-5-benzimidazolyl]-5-oxopentanoic acid IUPAC Name: 5-[2-[4-(2-aminoethyl)phenyl]-1-methylbenzimidazol-5-yl]-5-oxopentanoic acid Traditional Name: 5-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-5-keto-valeric acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-24-18-10-9-16(19(25)3-2-4-20(26)27)13-17(18)23-21(24)15-7-5-14(6-8-15)11-12-22/h5-10,13H,2-4,11-12,22H2,1H3,(H,26,27)