pyridin-3-ylmethyl 18-oxidanylidene-18-pyrrolidin-1-yl-octadecanoate

Systemtic Name: pyridin-3-ylmethyl 18-oxidanylidene-18-pyrrolidin-1-yl-octadecanoate Openeye Name: 3-pyridylmethyl 18-oxo-18-pyrrolidin-1-yl-octadecanoate CAS Name: 18-oxo-18-(1-pyrrolidinyl)octadecanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 18-oxo-18-pyrrolidin-1-yloctadecanoate Traditional Name: 18-keto-18-pyrrolidino-stearic acid 3-pyridylmethyl ester Formula: C28H46N2O3 MolecularWeight: 458.67644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCCCCCCCCCCCCCCCC(=O)OCC2=CN=CC=C2

Isomeric SMILES

C1CCN(C1)C(=O)CCCCCCCCCCCCCCCCC(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C28H46N2O3/c31-27(30-22-15-16-23-30)19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-28(32)33-25-26-18-17-21-29-24-26/h17-18,21,24H,1-16,19-20,22-23,25H2