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

Systemtic Name: [4-chloranyl-2-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-oxidanylidene-butyl] octadecanoate Openeye Name: [2-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-4-chloro-4-oxo-butyl] octadecanoate CAS Name: octadecanoic acid [4-chloro-2-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]-4-oxobutyl] ester IUPAC Name: [4-chloro-2-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-oxobutyl] octadecanoate Traditional Name: stearic acid [2-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-4-chloro-4-keto-butyl] ester Formula: C35H56ClNO7 MolecularWeight: 638.27464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56ClNO7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(39)42-27-30(25-31(36)38)44-34(40)33(28(2)3)37-35(41)43-26-29-22-19-18-20-23-29/h18-20,22-23,28,30,33H,4-17,21,24-27H2,1-3H3,(H,37,41)