(E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-[4-(2-methylimidazol-1-yl)phenyl]but-3-enamide

Systemtic Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-[4-(2-methylimidazol-1-yl)phenyl]but-3-enamide Openeye Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4-[4-(2-methylimidazol-1-yl)phenyl]but-3-enamide CAS Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-[4-(2-methyl-1-imidazolyl)phenyl]-3-butenamide IUPAC Name: (E)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-[4-(2-methylimidazol-1-yl)phenyl]but-3-enamide Traditional Name: (E)-N-[3-[homoveratryl(methyl)amino]propyl]-4-[4-(2-methylimidazol-1-yl)phenyl]but-3-enamide Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)C=CCC(=O)NCCCN(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)/C=C/CC(=O)NCCCN(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H36N4O3/c1-22-29-17-20-32(22)25-12-9-23(10-13-25)7-5-8-28(33)30-16-6-18-31(2)19-15-24-11-14-26(34-3)27(21-24)35-4/h5,7,9-14,17,20-21H,6,8,15-16,18-19H2,1-4H3,(H,30,33)/b7-5+