[4-[[2-butyl-1,5-bis(chloranyl)imidazol-4-yl]methyl]phenyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [4-[[2-butyl-1,5-bis(chloranyl)imidazol-4-yl]methyl]phenyl] 1-methylpyrrole-2-carboxylate Openeye Name: [4-[(2-butyl-1,5-dichloro-imidazol-4-yl)methyl]phenyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [4-[(2-butyl-1,5-dichloro-4-imidazolyl)methyl]phenyl] ester IUPAC Name: [4-[(2-butyl-1,5-dichloroimidazol-4-yl)methyl]phenyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [4-[(2-butyl-1,5-dichloro-imidazol-4-yl)methyl]phenyl] ester Formula: C20H21Cl2N3O2 MolecularWeight: 406.30564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1Cl)Cl)CC2=CC=C(C=C2)OC(=O)C3=CC=CN3C

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)Cl)CC2=CC=C(C=C2)OC(=O)C3=CC=CN3C

InChI

InChI=1S/C20H21Cl2N3O2/c1-3-4-7-18-23-16(19(21)25(18)22)13-14-8-10-15(11-9-14)27-20(26)17-6-5-12-24(17)2/h5-6,8-12H,3-4,7,13H2,1-2H3