3-methyl-1-[4-[1-(3,4,5-trimethoxyphenyl)carbonylpiperidin-4-yl]piperidin-1-yl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[4-[1-(3,4,5-trimethoxyphenyl)carbonylpiperidin-4-yl]piperidin-1-yl]but-2-en-1-one Openeye Name: 3-methyl-1-[4-[1-(3,4,5-trimethoxybenzoyl)-4-piperidyl]-1-piperidyl]but-2-en-1-one CAS Name: 3-methyl-1-[4-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinyl]-1-piperidinyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[4-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidin-1-yl]but-2-en-1-one Traditional Name: 3-methyl-1-[4-[1-(3,4,5-trimethoxybenzoyl)-4-piperidyl]piperidino]but-2-en-1-one Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CC(=CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C25H36N2O5/c1-17(2)14-23(28)26-10-6-18(7-11-26)19-8-12-27(13-9-19)25(29)20-15-21(30-3)24(32-5)22(16-20)31-4/h14-16,18-19H,6-13H2,1-5H3