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

Systemtic Name: 4-[[4-[2-(butanoylamino)-3-oxidanyl-3-oxidanylidene-propyl]-2-butyl-1,2-dihydroimidazol-3-yl]methyl]-3-nitro-benzoic acid Openeye Name: 4-[[4-[2-(butanoylamino)-3-hydroxy-3-oxo-propyl]-2-butyl-1,2-dihydroimidazol-3-yl]methyl]-3-nitro-benzoic acid CAS Name: 4-[[2-butyl-4-[3-hydroxy-3-oxo-2-(1-oxobutylamino)propyl]-1,2-dihydroimidazol-3-yl]methyl]-3-nitrobenzoic acid IUPAC Name: 4-[[4-[2-(butanoylamino)-3-hydroxy-3-oxopropyl]-2-butyl-1,2-dihydroimidazol-3-yl]methyl]-3-nitrobenzoic acid Traditional Name: 4-[[2-butyl-5-(2-butyramido-3-hydroxy-3-keto-propyl)-4-imidazolin-1-yl]methyl]-3-nitro-benzoic acid Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC=C(N1CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CC(C(=O)O)NC(=O)CCC

Isomeric SMILES

CCCCC1NC=C(N1CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CC(C(=O)O)NC(=O)CCC

InChI

InChI=1S/C22H30N4O7/c1-3-5-7-19-23-12-16(11-17(22(30)31)24-20(27)6-4-2)25(19)13-15-9-8-14(21(28)29)10-18(15)26(32)33/h8-10,12,17,19,23H,3-7,11,13H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)