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

Systemtic Name: 1-[4-[[5-(acetyloxymethyl)-2-butyl-imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[[5-(acetoxymethyl)-2-butyl-imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[[5-(acetyloxymethyl)-2-butyl-1-imidazolyl]methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[[5-(acetyloxymethyl)-2-butylimidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[[5-(acetoxymethyl)-2-butyl-imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-3-4-7-21-23-13-19(15-29-16(2)26)25(21)14-17-8-10-18(11-9-17)24-12-5-6-20(24)22(27)28/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,27,28)