[4-chloranyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]-4-oxidanylidene-butyl] octadecanoate

Systemtic Name: [4-chloranyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]-4-oxidanylidene-butyl] octadecanoate Openeye Name: [2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]-4-chloro-4-oxo-butyl] octadecanoate CAS Name: octadecanoic acid [4-chloro-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]methyl]-4-oxobutyl] ester IUPAC Name: [4-chloro-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxymethyl]-4-oxobutyl] octadecanoate Traditional Name: stearic acid [2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]-4-chloro-4-keto-butyl] ester Formula: C36H58ClNO7 MolecularWeight: 652.30122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58ClNO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(40)43-27-31(25-32(37)39)28-44-35(41)34(29(2)3)38-36(42)45-26-30-22-19-18-20-23-30/h18-20,22-23,29,31,34H,4-17,21,24-28H2,1-3H3,(H,38,42)