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

Systemtic Name: 1-[4-[[2-butyl-4-chloranyl-5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[[2-butyl-4-chloro-5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[[2-butyl-4-chloro-5-(methoxymethyl)-1-imidazolyl]methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[[2-butyl-4-chloro-5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[[2-butyl-4-chloro-5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-3-4-7-19-23-20(22)18(14-28-2)25(19)13-15-8-10-16(11-9-15)24-12-5-6-17(24)21(26)27/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,26,27)