methyl 7-[(3R,4R)-2-oxidanylidene-4-[(E)-3-oxidanylideneoct-1-enyl]pyrrolidin-3-yl]hept-5-ynoate

Systemtic Name: methyl 7-[(3R,4R)-2-oxidanylidene-4-[(E)-3-oxidanylideneoct-1-enyl]pyrrolidin-3-yl]hept-5-ynoate Openeye Name: methyl 7-[(3R,4R)-2-oxo-4-[(E)-3-oxooct-1-enyl]pyrrolidin-3-yl]hept-5-ynoate CAS Name: 7-[(3R,4R)-2-oxo-4-[(E)-3-oxooct-1-enyl]-3-pyrrolidinyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[(3R,4R)-2-oxo-4-[(E)-3-oxooct-1-enyl]pyrrolidin-3-yl]hept-5-ynoate Traditional Name: 7-[(3R,4R)-2-keto-4-[(E)-3-ketooct-1-enyl]pyrrolidin-3-yl]hept-5-ynoic acid methyl ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1CNC(=O)C1CC#CCCCC(=O)OC

Isomeric SMILES

CCCCCC(=O)/C=C/[C@H]1CNC(=O)[C@@H]1CC#CCCCC(=O)OC

InChI

InChI=1S/C20H29NO4/c1-3-4-7-10-17(22)14-13-16-15-21-20(24)18(16)11-8-5-6-9-12-19(23)25-2/h13-14,16,18H,3-4,6-7,9-12,15H2,1-2H3,(H,21,24)/b14-13+/t16-,18+/m0/s1