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

Systemtic Name: 4-(1H-benzimidazol-2-ylmethyl)-5-[3-methoxypropyl(pentyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(1H-benzimidazol-2-ylmethyl)-5-[3-methoxypropyl(pentyl)amino]-5-oxo-pentanoic acid CAS Name: 4-(1H-benzimidazol-2-ylmethyl)-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid IUPAC Name: 4-(1H-benzimidazol-2-ylmethyl)-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid Traditional Name: 5-[amyl(3-methoxypropyl)amino]-4-(1H-benzimidazol-2-ylmethyl)-5-keto-valeric acid Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCOC)C(=O)C(CCC(=O)O)CC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCCCN(CCCOC)C(=O)C(CCC(=O)O)CC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C22H33N3O4/c1-3-4-7-13-25(14-8-15-29-2)22(28)17(11-12-21(26)27)16-20-23-18-9-5-6-10-19(18)24-20/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3,(H,23,24)(H,26,27)