methyl 7-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]hept-5-ynoate

Systemtic Name: methyl 7-[(6R)-2-oxidanylidene-6-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]piperidin-1-yl]hept-5-ynoate Openeye Name: methyl 7-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]hept-5-ynoate CAS Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]hept-5-ynoate Traditional Name: 7-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]hept-5-ynoic acid methyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CCN1C(CCCC1=O)C=CC(CC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCCC#CCN1[C@H](CCCC1=O)/C=C/C(CC2=CC=CC=C2)O

InChI

InChI=1S/C23H29NO4/c1-28-23(27)14-7-2-3-8-17-24-20(12-9-13-22(24)26)15-16-21(25)18-19-10-5-4-6-11-19/h4-6,10-11,15-16,20-21,25H,2,7,9,12-14,17-18H2,1H3/b16-15+/t20-,21?/m1/s1