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

Systemtic Name: 1H-imidazol-5-yl (E)-3-(3-aminocarbonyl-4-octadecoxy-phenyl)prop-2-enoate Openeye Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-octadecoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-carbamoyl-4-octadecoxyphenyl)-2-propenoic acid 1H-imidazol-5-yl ester IUPAC Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-octadecoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-carbamoyl-4-stearyloxy-phenyl)acrylic acid 1H-imidazol-5-yl ester Formula: C31H47N3O4 MolecularWeight: 525.72258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)OC2=CN=CN2)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=CN=CN2)C(=O)N

InChI

InChI=1S/C31H47N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-28-20-18-26(23-27(28)31(32)36)19-21-30(35)38-29-24-33-25-34-29/h18-21,23-25H,2-17,22H2,1H3,(H2,32,36)(H,33,34)/b21-19+