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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC=C(C=C2)CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H29NO5/c1-18-23(26(32)28(34-3)27(33-2)25(18)31)16-20-10-8-19(9-11-20)12-13-24(30)29-15-14-21-6-4-5-7-22(21)17-29/h4-11H,12-17H2,1-3H3