methyl 16-[(4-imidazol-1-ylcarbonylphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexadecanoate

Systemtic Name: methyl 16-[(4-imidazol-1-ylcarbonylphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexadecanoate Openeye Name: methyl 16-[N-tert-butoxycarbonyl-4-(imidazole-1-carbonyl)anilino]hexadecanoate CAS Name: 16-[4-[1-imidazolyl(oxo)methyl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino]hexadecanoic acid methyl ester IUPAC Name: methyl 16-[4-(imidazole-1-carbonyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]hexadecanoate Traditional Name: 16-[N-tert-butoxycarbonyl-4-(imidazole-1-carbonyl)anilino]palmitic acid methyl ester Formula: C32H49N3O5 MolecularWeight: 555.74856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCCCCCCCCCCCC(=O)OC)C1=CC=C(C=C1)C(=O)N2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCCCCCCCCCCCC(=O)OC)C1=CC=C(C=C1)C(=O)N2C=CN=C2

InChI

InChI=1S/C32H49N3O5/c1-32(2,3)40-31(38)35(28-21-19-27(20-22-28)30(37)34-25-23-33-26-34)24-17-15-13-11-9-7-5-6-8-10-12-14-16-18-29(36)39-4/h19-23,25-26H,5-18,24H2,1-4H3