methyl 7-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyloct-1-enyl]piperidin-1-yl]hept-5-ynoate

Systemtic Name: methyl 7-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyloct-1-enyl]piperidin-1-yl]hept-5-ynoate Openeye Name: methyl 7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxo-1-piperidyl]hept-5-ynoate CAS Name: 7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxo-1-piperidinyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-ynoate Traditional Name: 7-[(2R)-2-[(E)-3-hydroxyoct-1-enyl]-6-keto-piperidino]hept-5-ynoic acid methyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCCC(=O)N1CC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(/C=C/[C@H]1CCCC(=O)N1CC#CCCCC(=O)OC)O

InChI

InChI=1S/C21H33NO4/c1-3-4-7-12-19(23)16-15-18-11-10-13-20(24)22(18)17-9-6-5-8-14-21(25)26-2/h15-16,18-19,23H,3-5,7-8,10-14,17H2,1-2H3/b16-15+/t18-,19?/m1/s1