octadecyl 2-[methyl(oxidanyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: octadecyl 2-[methyl(oxidanyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: octadecyl 2-[hydroxy(methyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: 2-[[hydroxy(methyl)amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid octadecyl ester IUPAC Name: octadecyl 2-[hydroxy(methyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: 2-[hydroxy(methyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid stearyl ester Formula: C28H49NO4 MolecularWeight: 463.69296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1C2CC(C1C(=O)N(C)O)C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1C2CC(C1C(=O)N(C)O)C=C2

InChI

InChI=1S/C28H49NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-28(31)26-24-20-19-23(22-24)25(26)27(30)29(2)32/h19-20,23-26,32H,3-18,21-22H2,1-2H3