methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]hexanoate

Systemtic Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]hexanoate Openeye Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylene]hexanoate CAS Name: (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylidene]hexanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]hexanoate Traditional Name: (E)-2-butyl-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]acrylic acid methyl ester Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2/c1-4-6-10-17(22(26)27-3)14-19-15-24-21(13-7-5-2)25(19)16-18-11-8-9-12-20(18)23/h8-9,11-12,14-15H,4-7,10,13,16H2,1-3H3/b17-14+