(4-bromophenyl) 5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-9-carboxylate

Systemtic Name: (4-bromophenyl) 5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-9-carboxylate Openeye Name: (4-bromophenyl) 7-isopropyl-5,6-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-phenanthrene-9-carboxylate CAS Name: 5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-9-carboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 5,6-dimethoxy-1,1-dimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthrene-9-carboxylate Traditional Name: 7-isopropyl-5,6-dimethoxy-1,1-dimethyl-3,4-dihydro-2H-phenanthrene-9-carboxylic acid (4-bromophenyl) ester Formula: C28H31BrO4 MolecularWeight: 511.44734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C2C3=C(C=C(C2=C1)C(=O)OC4=CC=C(C=C4)Br)C(CCC3)(C)C)OC)OC

Isomeric SMILES

CC(C)C1=C(C(=C2C3=C(C=C(C2=C1)C(=O)OC4=CC=C(C=C4)Br)C(CCC3)(C)C)OC)OC

InChI

InChI=1S/C28H31BrO4/c1-16(2)20-14-21-22(27(30)33-18-11-9-17(29)10-12-18)15-23-19(8-7-13-28(23,3)4)24(21)26(32-6)25(20)31-5/h9-12,14-16H,7-8,13H2,1-6H3