[2-carbonochloridoyloxy-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-propyl] octadecanoate

Systemtic Name: [2-carbonochloridoyloxy-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-propyl] octadecanoate Openeye Name: [3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-chlorocarbonyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [2-carbonochloridoyloxy-3-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]propyl] ester IUPAC Name: [2-carbonochloridoyloxy-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxypropyl] octadecanoate Traditional Name: stearic acid [3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-chlorocarbonyloxy-propyl] ester Formula: C35H56ClNO8 MolecularWeight: 654.27404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)OC(=O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)OC(=O)Cl

InChI

InChI=1S/C35H56ClNO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31(38)42-26-30(45-34(36)40)27-43-33(39)32(28(2)3)37-35(41)44-25-29-22-19-18-20-23-29/h18-20,22-23,28,30,32H,4-17,21,24-27H2,1-3H3,(H,37,41)