[2-oxidanyl-3-[3-(1-phenylundecan-2-ylamino)propylcarbamoyloxy]propyl] 2-methylpropanoate

Systemtic Name: [2-oxidanyl-3-[3-(1-phenylundecan-2-ylamino)propylcarbamoyloxy]propyl] 2-methylpropanoate Openeye Name: [3-[3-(1-benzyldecylamino)propylcarbamoyloxy]-2-hydroxy-propyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-hydroxy-3-[oxo-[3-(1-phenylundecan-2-ylamino)propylamino]methoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[3-(1-phenylundecan-2-ylamino)propylcarbamoyloxy]propyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-[3-(1-benzyldecylamino)propylcarbamoyloxy]-2-hydroxy-propyl] ester Formula: C28H48N2O5 MolecularWeight: 492.69112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC1=CC=CC=C1)NCCCNC(=O)OCC(COC(=O)C(C)C)O

Isomeric SMILES

CCCCCCCCCC(CC1=CC=CC=C1)NCCCNC(=O)OCC(COC(=O)C(C)C)O

InChI

InChI=1S/C28H48N2O5/c1-4-5-6-7-8-9-13-17-25(20-24-15-11-10-12-16-24)29-18-14-19-30-28(33)35-22-26(31)21-34-27(32)23(2)3/h10-12,15-16,23,25-26,29,31H,4-9,13-14,17-22H2,1-3H3,(H,30,33)