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

Systemtic Name: 4-(methylamino)butyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]pentyl] hydrogen phosphate Traditional Name: [4-keto-2-(4-myristyloxybenzyl)pentyl] 4-(methylamino)butyl hydrogen phosphate Formula: C31H56NO6P MolecularWeight: 569.753201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)C)COP(=O)(O)OCCCCNC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)C)COP(=O)(O)OCCCCNC

InChI

InChI=1S/C31H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-16-23-36-31-20-18-29(19-21-31)26-30(25-28(2)33)27-38-39(34,35)37-24-17-15-22-32-3/h18-21,30,32H,4-17,22-27H2,1-3H3,(H,34,35)