[2-(octadecylcarbamoyl)phenyl] 2-(hydroxymethyl)-2,3-bis(oxidanyl)butanoate

Systemtic Name: [2-(octadecylcarbamoyl)phenyl] 2-(hydroxymethyl)-2,3-bis(oxidanyl)butanoate Openeye Name: [2-(octadecylcarbamoyl)phenyl] 2,3-dihydroxy-2-(hydroxymethyl)butanoate CAS Name: 2,3-dihydroxy-2-(hydroxymethyl)butanoic acid [2-[(octadecylamino)-oxomethyl]phenyl] ester IUPAC Name: [2-(octadecylcarbamoyl)phenyl] 2,3-dihydroxy-2-(hydroxymethyl)butanoate Traditional Name: 2,3-dihydroxy-2-methylol-butyric acid [2-(stearylcarbamoyl)phenyl] ester Formula: C30H51NO6 MolecularWeight: 521.72904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1OC(=O)C(CO)(C(C)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=CC=C1OC(=O)C(CO)(C(C)O)O

InChI

InChI=1S/C30H51NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-28(34)26-21-18-19-22-27(26)37-29(35)30(36,24-32)25(2)33/h18-19,21-22,25,32-33,36H,3-17,20,23-24H2,1-2H3,(H,31,34)