[4-(9-chloranyloctadecanoylamino)-2-propanoyl-phenyl] 2-(methylamino)ethyl hydrogen phosphate

Systemtic Name: [4-(9-chloranyloctadecanoylamino)-2-propanoyl-phenyl] 2-(methylamino)ethyl hydrogen phosphate Openeye Name: [4-(9-chlorooctadecanoylamino)-2-propanoyl-phenyl] 2-(methylamino)ethyl hydrogen phosphate CAS Name: [4-[(9-chloro-1-oxooctadecyl)amino]-2-(1-oxopropyl)phenyl] 2-(methylamino)ethyl hydrogen phosphate IUPAC Name: [4-(9-chlorooctadecanoylamino)-2-propanoylphenyl] 2-(methylamino)ethyl hydrogen phosphate Traditional Name: [4-(9-chlorooctadecanoylamino)-2-propionyl-phenyl] 2-(methylamino)ethyl hydrogen phosphate Formula: C30H52ClN2O6P MolecularWeight: 603.170441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)(O)OCCNC)C(=O)CC)Cl

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)(O)OCCNC)C(=O)CC)Cl

InChI

InChI=1S/C30H52ClN2O6P/c1-4-6-7-8-9-11-14-17-25(31)18-15-12-10-13-16-19-30(35)33-26-20-21-29(27(24-26)28(34)5-2)39-40(36,37)38-23-22-32-3/h20-21,24-25,32H,4-19,22-23H2,1-3H3,(H,33,35)(H,36,37)