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

Systemtic Name: 1H-imidazol-5-yl (E)-3-(3-aminocarbonyl-4-octoxy-phenyl)prop-2-enoate Openeye Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-octoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-carbamoyl-4-octoxyphenyl)-2-propenoic acid 1H-imidazol-5-yl ester IUPAC Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-octoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-carbamoyl-4-octoxy-phenyl)acrylic acid 1H-imidazol-5-yl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)OC2=CN=CN2)C(=O)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=CN=CN2)C(=O)N

InChI

InChI=1S/C21H27N3O4/c1-2-3-4-5-6-7-12-27-18-10-8-16(13-17(18)21(22)26)9-11-20(25)28-19-14-23-15-24-19/h8-11,13-15H,2-7,12H2,1H3,(H2,22,26)(H,23,24)/b11-9+