4-(6-chloranyl-1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-(6-chloranyl-1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(6-chloro-1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxo-pentanoic acid CAS Name: 4-(6-chloro-1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid IUPAC Name: 4-(6-chloro-1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid Traditional Name: 5-[amyl(3-methoxypropyl)amino]-4-(6-chloro-1H-benzimidazol-2-yl)-5-keto-valeric acid Formula: C21H30ClN3O4 MolecularWeight: 423.9336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCOC)C(=O)C(CCC(=O)O)C1=NC2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CCCCCN(CCCOC)C(=O)C(CCC(=O)O)C1=NC2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C21H30ClN3O4/c1-3-4-5-11-25(12-6-13-29-2)21(28)16(8-10-19(26)27)20-23-17-9-7-15(22)14-18(17)24-20/h7,9,14,16H,3-6,8,10-13H2,1-2H3,(H,23,24)(H,26,27)