tert-butyl (2E)-2-[(3,6,7-trimethoxyphenanthren-9-yl)methylidene]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2E)-2-[(3,6,7-trimethoxyphenanthren-9-yl)methylidene]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2E)-2-[(3,6,7-trimethoxy-9-phenanthryl)methylene]pyrrolidine-1-carboxylate CAS Name: (2E)-2-[(3,6,7-trimethoxy-9-phenanthrenyl)methylidene]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[(3,6,7-trimethoxyphenanthren-9-yl)methylidene]pyrrolidine-1-carboxylate Traditional Name: (2E)-2-[(3,6,7-trimethoxy-9-phenanthryl)methylene]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1=CC2=C3C=C(C(=CC3=C4C=C(C=CC4=C2)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N\1CCC/C1=C\C2=C3C=C(C(=CC3=C4C=C(C=CC4=C2)OC)OC)OC

InChI

InChI=1S/C27H31NO5/c1-27(2,3)33-26(29)28-11-7-8-19(28)13-18-12-17-9-10-20(30-4)14-21(17)23-16-25(32-6)24(31-5)15-22(18)23/h9-10,12-16H,7-8,11H2,1-6H3/b19-13+