1-[4-[[5-(acetyloxymethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[4-[[5-(acetyloxymethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[[5-(acetoxymethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[[5-(acetyloxymethyl)-2-butyl-4-chloro-1-imidazolyl]methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[[5-(acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[[5-(acetoxymethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=CC=C3C(=O)O)COC(=O)C)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=CC=C3C(=O)O)COC(=O)C)Cl

InChI

InChI=1S/C22H24ClN3O4/c1-3-4-7-20-24-21(23)19(14-30-15(2)27)26(20)13-16-8-10-17(11-9-16)25-12-5-6-18(25)22(28)29/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,28,29)