2-(methylamino)ethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate

Systemtic Name: 2-(methylamino)ethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Openeye Name: 2-(methylamino)ethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate CAS Name: 2-(methylamino)ethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate IUPAC Name: 2-(methylamino)ethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Traditional Name: [4-keto-2-(3-tridecoxybenzyl)pentyl] 2-(methylamino)ethyl hydrogen phosphate Formula: C28H50NO6P MolecularWeight: 527.673461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)C)COP(=O)(O)OCCNC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)C)COP(=O)(O)OCCNC

InChI

InChI=1S/C28H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-19-33-28-17-15-16-26(23-28)22-27(21-25(2)30)24-35-36(31,32)34-20-18-29-3/h15-17,23,27,29H,4-14,18-22,24H2,1-3H3,(H,31,32)