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

Systemtic Name: methyl 5-[2-[4-(2-azanylethyl)phenyl]-1-methyl-benzimidazol-5-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-5-oxo-pentanoate CAS Name: 5-[2-[4-(2-aminoethyl)phenyl]-1-methyl-5-benzimidazolyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[2-[4-(2-aminoethyl)phenyl]-1-methylbenzimidazol-5-yl]-5-oxopentanoate Traditional Name: 5-[2-[4-(2-aminoethyl)phenyl]-1-methyl-benzimidazol-5-yl]-5-keto-valeric acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-25-19-11-10-17(20(26)4-3-5-21(27)28-2)14-18(19)24-22(25)16-8-6-15(7-9-16)12-13-23/h6-11,14H,3-5,12-13,23H2,1-2H3