(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]hept-2-enoate

Systemtic Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]hept-2-enoate Openeye Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]hept-2-enoate CAS Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]-2-heptenoate IUPAC Name: (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-1,2-dihydroimidazol-5-yl]hept-2-enoate Traditional Name: (E)-3-[2-butyl-1-(2-chlorobenzyl)-4-imidazolin-4-yl]hept-2-enoate Formula: C21H28ClN2O2- MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=CC=C2Cl)C(=CC(=O)[O-])CCCC

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=CC=C2Cl)/C(=C/C(=O)[O-])/CCCC

InChI

InChI=1S/C21H29ClN2O2/c1-3-5-9-16(13-21(25)26)19-15-24(20(23-19)12-6-4-2)14-17-10-7-8-11-18(17)22/h7-8,10-11,13,15,20,23H,3-6,9,12,14H2,1-2H3,(H,25,26)/p-1/b16-13+