dimethyl (E)-2-[2-(5-acetyloxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methyl-amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[2-(5-acetyloxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methyl-amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-(5-acetoxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methyl-amino]but-2-enedioate CAS Name: (E)-2-[2-(5-acetyloxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methylamino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-(5-acetyloxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methylamino]but-2-enedioate Traditional Name: (E)-2-[2-(5-acetoxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methyl-amino]but-2-enedioic acid dimethyl ester Formula: C28H35NO9 MolecularWeight: 529.5788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC2=C1C3(CC(C=CC3=CC2)(OC)OC)CCN(C)C(=CC(=O)OC)C(=O)OC)OC

Isomeric SMILES

CC(=O)OC1=C(C=CC2=C1C3(CC(C=CC3=CC2)(OC)OC)CCN(C)/C(=C/C(=O)OC)/C(=O)OC)OC

InChI

InChI=1S/C28H35NO9/c1-18(30)38-25-22(33-3)11-9-19-8-10-20-12-13-28(36-6,37-7)17-27(20,24(19)25)14-15-29(2)21(26(32)35-5)16-23(31)34-4/h9-13,16H,8,14-15,17H2,1-7H3/b21-16+