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

Systemtic Name: methyl (E)-3-[2-(5-acetyloxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methyl-amino]prop-2-enoate Openeye Name: methyl (E)-3-[2-(5-acetoxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methyl-amino]prop-2-enoate CAS Name: (E)-3-[2-(5-acetyloxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methylamino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(5-acetyloxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methylamino]prop-2-enoate Traditional Name: (E)-3-[2-(5-acetoxy-3,3,6-trimethoxy-4,9-dihydrophenanthren-4a-yl)ethyl-methyl-amino]acrylic acid methyl ester Formula: C26H33NO7 MolecularWeight: 471.54272

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO7/c1-18(28)34-24-21(30-3)10-8-19-7-9-20-11-13-26(32-5,33-6)17-25(20,23(19)24)14-16-27(2)15-12-22(29)31-4/h8-13,15H,7,14,16-17H2,1-6H3/b15-12+