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

Systemtic Name: methyl 7-[2-oxidanylidene-6-[(E)-3-oxidanylideneoct-1-enyl]piperidin-1-yl]hept-5-ynoate Openeye Name: methyl 7-[2-oxo-6-[(E)-3-oxooct-1-enyl]-1-piperidyl]hept-5-ynoate CAS Name: 7-[2-oxo-6-[(E)-3-oxooct-1-enyl]-1-piperidinyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[2-oxo-6-[(E)-3-oxooct-1-enyl]piperidin-1-yl]hept-5-ynoate Traditional Name: 7-[2-keto-6-[(E)-3-ketooct-1-enyl]piperidino]hept-5-ynoic acid methyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)/C=C/C1CCCC(=O)N1CC#CCCCC(=O)OC

InChI

InChI=1S/C21H31NO4/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/h15-16,18H,3-5,7-8,10-14,17H2,1-2H3/b16-15+