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

Systemtic Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-3-phenyl-butanoate Openeye Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylene]-3-phenyl-butanoate CAS Name: (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylidene]-3-phenylbutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-3-phenylbutanoate Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-(1-phenylethyl)acrylic acid methyl ester Formula: C26H29ClN2O2 MolecularWeight: 436.97366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(C(C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\C(C)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C26H29ClN2O2/c1-4-5-15-25-28-17-22(29(25)18-21-13-9-10-14-24(21)27)16-23(26(30)31-3)19(2)20-11-7-6-8-12-20/h6-14,16-17,19H,4-5,15,18H2,1-3H3/b23-16+