[3-(3,4,5-trimethoxyphenyl)piperidin-4-yl] (E)-2-methyl-4-oxidanylidene-oct-5-en-7-ynoate

Systemtic Name: [3-(3,4,5-trimethoxyphenyl)piperidin-4-yl] (E)-2-methyl-4-oxidanylidene-oct-5-en-7-ynoate Openeye Name: [3-(3,4,5-trimethoxyphenyl)-4-piperidyl] (E)-2-methyl-4-oxo-oct-5-en-7-ynoate CAS Name: (E)-2-methyl-4-oxooct-5-en-7-ynoic acid [3-(3,4,5-trimethoxyphenyl)-4-piperidinyl] ester IUPAC Name: [3-(3,4,5-trimethoxyphenyl)piperidin-4-yl] (E)-2-methyl-4-oxooct-5-en-7-ynoate Traditional Name: (E)-4-keto-2-methyl-oct-5-en-7-ynoic acid [3-(3,4,5-trimethoxyphenyl)-4-piperidyl] ester Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C=CC#C)C(=O)OC1CCNCC1C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(CC(=O)/C=C/C#C)C(=O)OC1CCNCC1C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C23H29NO6/c1-6-7-8-17(25)11-15(2)23(26)30-19-9-10-24-14-18(19)16-12-20(27-3)22(29-5)21(13-16)28-4/h1,7-8,12-13,15,18-19,24H,9-11,14H2,2-5H3/b8-7+