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

Systemtic Name: 1-[4-[(2-butyl-4-chloranyl-5-methoxycarbonyl-imidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[(2-butyl-4-chloro-5-methoxycarbonyl-imidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[(2-butyl-4-chloro-5-methoxycarbonyl-1-imidazolyl)methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[(2-butyl-4-chloro-5-methoxycarbonylimidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[(2-butyl-5-carbomethoxy-4-chloro-imidazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4/c1-3-4-7-17-23-19(22)18(21(28)29-2)25(17)13-14-8-10-15(11-9-14)24-12-5-6-16(24)20(26)27/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,26,27)