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

Systemtic Name: 1H-imidazol-5-yl (E)-3-(3-aminocarbonyl-4-docosyl-phenyl)prop-2-enoate Openeye Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-docosyl-phenyl)prop-2-enoate CAS Name: (E)-3-(3-carbamoyl-4-docosylphenyl)-2-propenoic acid 1H-imidazol-5-yl ester IUPAC Name: 1H-imidazol-5-yl (E)-3-(3-carbamoyl-4-docosylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-behenyl-3-carbamoyl-phenyl)acrylic acid 1H-imidazol-5-yl ester Formula: C35H55N3O3 MolecularWeight: 565.8295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=C(C=C1)C=CC(=O)OC2=CN=CN2)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=C(C=C1)/C=C/C(=O)OC2=CN=CN2)C(=O)N

InChI

InChI=1S/C35H55N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25-23-30(27-32(31)35(36)40)24-26-34(39)41-33-28-37-29-38-33/h23-29H,2-22H2,1H3,(H2,36,40)(H,37,38)/b26-24+