ethyl (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoate

Systemtic Name: ethyl (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoate Openeye Name: ethyl (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoate CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hept-2-enoate Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]hept-2-enoic acid ethyl ester Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C(=CC(=O)OCC)CCCC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C(=C/C(=O)OCC)/CCCC

InChI

InChI=1S/C23H31ClN2O2/c1-4-7-11-18(15-23(27)28-6-3)21-16-25-22(14-8-5-2)26(21)17-19-12-9-10-13-20(19)24/h9-10,12-13,15-16H,4-8,11,14,17H2,1-3H3/b18-15+