1H-imidazol-5-yl (E)-3-(3-aminocarbonyl-4-octyl-phenyl)prop-2-enoate

Systemtic Name: 1H-imidazol-5-yl (E)-3-(3-aminocarbonyl-4-octyl-phenyl)prop-2-enoate Openeye Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-octyl-phenyl)prop-2-enoate CAS Name: (E)-3-(3-carbamoyl-4-octylphenyl)-2-propenoic acid 1H-imidazol-5-yl ester IUPAC Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-octylphenyl)prop-2-enoate Traditional Name: (E)-3-(3-carbamoyl-4-octyl-phenyl)acrylic acid 1H-imidazol-5-yl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C=CC(=O)OC2=CN=CN2)C(=O)N

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)/C=C/C(=O)OC2=CN=CN2)C(=O)N

InChI

InChI=1S/C21H27N3O3/c1-2-3-4-5-6-7-8-17-11-9-16(13-18(17)21(22)26)10-12-20(25)27-19-14-23-15-24-19/h9-15H,2-8H2,1H3,(H2,22,26)(H,23,24)/b12-10+