1H-imidazol-5-yl 3-aminocarbonyl-4-hexadecanoyl-benzoate

Systemtic Name: 1H-imidazol-5-yl 3-aminocarbonyl-4-hexadecanoyl-benzoate Openeye Name: 1H-imidazol-5-yl 3-carbamoyl-4-hexadecanoyl-benzoate CAS Name: 3-carbamoyl-4-(1-oxohexadecyl)benzoic acid 1H-imidazol-5-yl ester IUPAC Name: 1H-imidazol-5-yl 3-carbamoyl-4-hexadecanoylbenzoate Traditional Name: 3-carbamoyl-4-hexadecanoyl-benzoic acid 1H-imidazol-5-yl ester Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=C(C=C(C=C1)C(=O)OC2=CN=CN2)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=C(C=C(C=C1)C(=O)OC2=CN=CN2)C(=O)N

InChI

InChI=1S/C27H39N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(31)22-17-16-21(18-23(22)26(28)32)27(33)34-25-19-29-20-30-25/h16-20H,2-15H2,1H3,(H2,28,32)(H,29,30)