methyl 2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-hexadecanoate

Systemtic Name: methyl 2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-hexadecanoate Openeye Name: methyl 2-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-hexadecanoate CAS Name: 2-amino-2-(1H-imidazol-5-ylmethyl)-3-oxohexadecanoic acid methyl ester IUPAC Name: methyl 2-amino-2-(1H-imidazol-5-ylmethyl)-3-oxohexadecanoate Traditional Name: 2-amino-2-(1H-imidazol-5-ylmethyl)-3-keto-palmitic acid methyl ester Formula: C21H37N3O3 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(CC1=CN=CN1)(C(=O)OC)N

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(CC1=CN=CN1)(C(=O)OC)N

InChI

InChI=1S/C21H37N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(25)21(22,20(26)27-2)15-18-16-23-17-24-18/h16-17H,3-15,22H2,1-2H3,(H,23,24)