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

Systemtic Name: 4-[[4-[2-(butanoylamino)-3-oxidanyl-3-oxidanylidene-propyl]-2-butyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-[2-(butanoylamino)-3-hydroxy-3-oxo-propyl]-2-butyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-4-[3-hydroxy-3-oxo-2-(1-oxobutylamino)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-[2-(butanoylamino)-3-hydroxy-3-oxopropyl]-2-butyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-(2-butyramido-3-hydroxy-3-keto-propyl)-4-imidazolin-1-yl]methyl]benzoic acid Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(C(=O)O)NC(=O)CCC

Isomeric SMILES

CCCCC1NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(C(=O)O)NC(=O)CCC

InChI

InChI=1S/C22H31N3O5/c1-3-5-7-19-23-13-17(12-18(22(29)30)24-20(26)6-4-2)25(19)14-15-8-10-16(11-9-15)21(27)28/h8-11,13,18-19,23H,3-7,12,14H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)