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

Systemtic Name: 3-(methylamino)propyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Openeye Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate CAS Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate IUPAC Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]pentyl] hydrogen phosphate Traditional Name: [4-keto-2-(3-tridecoxybenzyl)pentyl] 3-(methylamino)propyl hydrogen phosphate Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-20-34-29-18-15-17-27(24-29)23-28(22-26(2)31)25-36-37(32,33)35-21-16-19-30-3/h15,17-18,24,28,30H,4-14,16,19-23,25H2,1-3H3,(H,32,33)