[2-methyl-4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate

Systemtic Name: [2-methyl-4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-butyl] octadecanoate Openeye Name: [4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-methyl-butyl] octadecanoate CAS Name: octadecanoic acid [2-methyl-4-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]butyl] ester IUPAC Name: [2-methyl-4-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybutyl] octadecanoate Traditional Name: stearic acid [4-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-methyl-butyl] ester Formula: C36H61NO6 MolecularWeight: 603.87264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)CCOC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)CCOC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C36H61NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-33(38)42-28-31(4)26-27-41-35(39)34(30(2)3)37-36(40)43-29-32-23-20-19-21-24-32/h19-21,23-24,30-31,34H,5-18,22,25-29H2,1-4H3,(H,37,40)