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

Systemtic Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-4-phenyl-3-thiophen-2-yl-butanoate Openeye Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylene]-4-phenyl-3-(2-thienyl)butanoate CAS Name: (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]methylidene]-4-phenyl-3-thiophen-2-ylbutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-4-phenyl-3-thiophen-2-ylbutanoate Traditional Name: (E)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]-2-[2-phenyl-1-(2-thienyl)ethyl]acrylic acid methyl ester Formula: C30H31ClN2O2S MolecularWeight: 519.09734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(C(CC3=CC=CC=C3)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)/C=C(\C(CC3=CC=CC=C3)C4=CC=CS4)/C(=O)OC

InChI

InChI=1S/C30H31ClN2O2S/c1-3-4-16-29-32-20-24(33(29)21-23-13-8-9-14-27(23)31)19-26(30(34)35-2)25(28-15-10-17-36-28)18-22-11-6-5-7-12-22/h5-15,17,19-20,25H,3-4,16,18,21H2,1-2H3/b26-19+