methyl (E)-6-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hex-5-enoate

Systemtic Name: methyl (E)-6-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hex-5-enoate Openeye Name: methyl (E)-6-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hex-5-enoate CAS Name: (E)-6-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]hex-5-enoate Traditional Name: (E)-6-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]hex-5-enoic acid methyl ester Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O2/c1-3-4-13-20-23-15-18(11-6-5-7-14-21(25)26-2)24(20)16-17-10-8-9-12-19(17)22/h6,8-12,15H,3-5,7,13-14,16H2,1-2H3/b11-6+