4-[[4-[2-(butanoylamino)-3-oxidanyl-3-oxidanylidene-propyl]-2-propyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-(butanoylamino)-3-oxidanyl-3-oxidanylidene-propyl]-2-propyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-[2-(butanoylamino)-3-hydroxy-3-oxo-propyl]-2-propyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid CAS Name: 4-[[4-[3-hydroxy-3-oxo-2-(1-oxobutylamino)propyl]-2-propyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(butanoylamino)-3-hydroxy-3-oxopropyl]-2-propyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(2-butyramido-3-hydroxy-3-keto-propyl)-2-propyl-4-imidazolin-1-yl]methyl]benzoic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(C(=O)O)NC(=O)CCC

Isomeric SMILES

CCCC1NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(C(=O)O)NC(=O)CCC

InChI

InChI=1S/C21H29N3O5/c1-3-5-18-22-12-16(11-17(21(28)29)23-19(25)6-4-2)24(18)13-14-7-9-15(10-8-14)20(26)27/h7-10,12,17-18,22H,3-6,11,13H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)