4-[[5-[2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[2-[(1-acetyl-3-methyl-butyl)amino]-3-hydroxy-3-oxo-propyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[3-hydroxy-2-[(5-methyl-2-oxohexan-3-yl)amino]-3-oxopropyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[3-hydroxy-2-[(5-methyl-2-oxohexan-3-yl)amino]-3-oxopropyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[2-[(1-acetyl-3-methyl-butyl)amino]-3-hydroxy-3-keto-propyl]imidazol-1-yl]methyl]benzoic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H27N3O5/c1-13(2)8-18(14(3)25)23-19(21(28)29)9-17-10-22-12-24(17)11-15-4-6-16(7-5-15)20(26)27/h4-7,10,12-13,18-19,23H,8-9,11H2,1-3H3,(H,26,27)(H,28,29)