2,3-dimethoxy-5-methyl-6-[[4-(1-propanoyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3-dimethoxy-5-methyl-6-[[4-(1-propanoyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3-dimethoxy-5-methyl-6-[[4-(1-propanoyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]-1,4-benzoquinone CAS Name: 2,3-dimethoxy-5-methyl-6-[[4-[1-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3-dimethoxy-5-methyl-6-[[4-(1-propanoyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2,3-dimethoxy-5-methyl-6-[4-(1-propionyl-3,4-dihydro-1H-isoquinolin-2-yl)benzyl]-p-benzoquinone Formula: C28H29NO5 MolecularWeight: 459.53356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C2=CC=CC=C2CCN1C3=CC=C(C=C3)CC4=C(C(=O)C(=C(C4=O)OC)OC)C

Isomeric SMILES

CCC(=O)C1C2=CC=CC=C2CCN1C3=CC=C(C=C3)CC4=C(C(=O)C(=C(C4=O)OC)OC)C

InChI

InChI=1S/C28H29NO5/c1-5-23(30)24-21-9-7-6-8-19(21)14-15-29(24)20-12-10-18(11-13-20)16-22-17(2)25(31)27(33-3)28(34-4)26(22)32/h6-13,24H,5,14-16H2,1-4H3