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

Systemtic Name: dimethyl (E)-2-[2-(5-acetyloxy-3,6-dimethoxy-9H-phenanthren-4a-yl)ethyl-methyl-amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[2-(5-acetoxy-3,6-dimethoxy-9H-phenanthren-4a-yl)ethyl-methyl-amino]but-2-enedioate CAS Name: (E)-2-[2-(5-acetyloxy-3,6-dimethoxy-9H-phenanthren-4a-yl)ethyl-methylamino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[2-(5-acetyloxy-3,6-dimethoxy-9H-phenanthren-4a-yl)ethyl-methylamino]but-2-enedioate Traditional Name: (E)-2-[2-(5-acetoxy-3,6-dimethoxy-9H-phenanthren-4a-yl)ethyl-methyl-amino]but-2-enedioic acid dimethyl ester Formula: C27H31NO8 MolecularWeight: 497.53694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO8/c1-17(29)36-25-22(33-4)12-8-18-7-9-19-10-11-20(32-3)16-27(19,24(18)25)13-14-28(2)21(26(31)35-6)15-23(30)34-5/h8-12,15-16H,7,13-14H2,1-6H3/b21-15+