[4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate

Systemtic Name: [4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate Openeye Name: [4-[2-(allyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate CAS Name: octadecanoic acid [4-[3-methyl-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]butoxy]-2-(7-purinylmethyl)butyl] ester IUPAC Name: [4-[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]oxy-2-(purin-7-ylmethyl)butyl] octadecanoate Traditional Name: stearic acid [4-[2-(allyloxycarbonylamino)-3-methyl-butanoyl]oxy-2-(purin-7-ylmethyl)butyl] ester Formula: C37H61N5O6 MolecularWeight: 671.91014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC=C)CN1C=NC2=NC=NC=C21

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)C)NC(=O)OCC=C)CN1C=NC2=NC=NC=C21

InChI

InChI=1S/C37H61N5O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-33(43)48-27-31(26-42-29-40-35-32(42)25-38-28-39-35)22-24-46-36(44)34(30(3)4)41-37(45)47-23-6-2/h6,25,28-31,34H,2,5,7-24,26-27H2,1,3-4H3,(H,41,45)