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

Systemtic Name: 4-(methylamino)butyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Traditional Name: [4-keto-2-(3-tridecoxybenzyl)pentyl] 4-(methylamino)butyl hydrogen phosphate Formula: C30H54NO6P MolecularWeight: 555.726621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-4-5-6-7-8-9-10-11-12-13-15-21-35-30-19-17-18-28(25-30)24-29(23-27(2)32)26-37-38(33,34)36-22-16-14-20-31-3/h17-19,25,29,31H,4-16,20-24,26H2,1-3H3,(H,33,34)