methyl 16-[[4-[2,3-bis(oxidanyl)propylcarbamoyl]phenyl]amino]hexadecanoate

Systemtic Name: methyl 16-[[4-[2,3-bis(oxidanyl)propylcarbamoyl]phenyl]amino]hexadecanoate Openeye Name: methyl 16-[4-(2,3-dihydroxypropylcarbamoyl)anilino]hexadecanoate CAS Name: 16-[4-[(2,3-dihydroxypropylamino)-oxomethyl]anilino]hexadecanoic acid methyl ester IUPAC Name: methyl 16-[4-(2,3-dihydroxypropylcarbamoyl)anilino]hexadecanoate Traditional Name: 16-[4-(glycerylcarbamoyl)anilino]palmitic acid methyl ester Formula: C27H46N2O5 MolecularWeight: 478.66454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NCC(CO)O

Isomeric SMILES

COC(=O)CCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)NCC(CO)O

InChI

InChI=1S/C27H46N2O5/c1-34-26(32)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-28-24-18-16-23(17-19-24)27(33)29-21-25(31)22-30/h16-19,25,28,30-31H,2-15,20-22H2,1H3,(H,29,33)