2-hexadecoxy-6-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-2H-pyran-5-one

Systemtic Name: 2-hexadecoxy-6-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-2H-pyran-5-one Openeye Name: 2-hexadecoxy-6-isopropyl-4-(pyrrolidin-1-ylmethyl)-2H-pyran-5-one CAS Name: 2-hexadecoxy-6-propan-2-yl-4-(1-pyrrolidinylmethyl)-2H-pyran-5-one IUPAC Name: 2-hexadecoxy-6-propan-2-yl-4-(pyrrolidin-1-ylmethyl)-2H-pyran-5-one Traditional Name: 2-cetyloxy-6-isopropyl-4-(pyrrolidinomethyl)-2H-pyran-5-one Formula: C29H53NO3 MolecularWeight: 463.73602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1C=C(C(=O)C(O1)C(C)C)CN2CCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1C=C(C(=O)C(O1)C(C)C)CN2CCCC2

InChI

InChI=1S/C29H53NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-27-23-26(24-30-20-17-18-21-30)28(31)29(33-27)25(2)3/h23,25,27,29H,4-22,24H2,1-3H3