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

Systemtic Name: 1-[4-[(2-butyl-4-chloranyl-5-methyl-imidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[(2-butyl-4-chloro-5-methyl-imidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[(2-butyl-4-chloro-5-methyl-1-imidazolyl)methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[(2-butyl-4-chloro-5-methylimidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[(2-butyl-4-chloro-5-methyl-imidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2/c1-3-4-7-18-22-19(21)14(2)24(18)13-15-8-10-16(11-9-15)23-12-5-6-17(23)20(25)26/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,25,26)