2,3-dimethoxy-5-methyl-6-[[3-(4-oxidanylidene-4-piperidin-1-yl-butyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[[3-(4-oxidanylidene-4-piperidin-1-yl-butyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[[3-[4-oxo-4-(1-piperidyl)butyl]phenyl]methyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[[3-[4-oxo-4-(1-piperidinyl)butyl]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[[3-(4-oxo-4-piperidin-1-ylbutyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[3-(4-keto-4-piperidino-butyl)benzyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=CC=C2)CCCC(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=CC=C2)CCCC(=O)N3CCCCC3

InChI

InChI=1S/C25H31NO5/c1-17-20(23(29)25(31-3)24(30-2)22(17)28)16-19-11-7-9-18(15-19)10-8-12-21(27)26-13-5-4-6-14-26/h7,9,11,15H,4-6,8,10,12-14,16H2,1-3H3