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

Systemtic Name: 4-(1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxo-pentanoic acid CAS Name: 4-(1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid IUPAC Name: 4-(1H-benzimidazol-2-yl)-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid Traditional Name: 5-[amyl(3-methoxypropyl)amino]-4-(1H-benzimidazol-2-yl)-5-keto-valeric acid Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCOC)C(=O)C(CCC(=O)O)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCCN(CCCOC)C(=O)C(CCC(=O)O)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C21H31N3O4/c1-3-4-7-13-24(14-8-15-28-2)21(27)16(11-12-19(25)26)20-22-17-9-5-6-10-18(17)23-20/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,22,23)(H,25,26)