(12-acetyloxy-11-methoxy-7-methyl-5,6,7a,8-tetrahydro-4H-phenanthro[10,10a-b]pyrrol-2-yl) ethanoate hydrobromide

Systemtic Name: (12-acetyloxy-11-methoxy-7-methyl-5,6,7a,8-tetrahydro-4H-phenanthro[10,10a-b]pyrrol-2-yl) ethanoate hydrobromide Openeye Name: (12-acetoxy-11-methoxy-7-methyl-5,6,7a,8-tetrahydro-4H-phenanthro[10,10a-b]pyrrol-2-yl) acetate hydrobromide CAS Name: acetic acid (12-acetyloxy-11-methoxy-7-methyl-5,6,7a,8-tetrahydro-4H-phenanthro[10,10a-b]pyrrol-2-yl) ester hydrobromide IUPAC Name: (12-acetyloxy-11-methoxy-7-methyl-5,6,7a,8-tetrahydro-4H-phenanthro[10,10a-b]pyrrol-2-yl) acetate hydrobromide Traditional Name: acetic acid (12-acetoxy-11-methoxy-7-methyl-5,6,7a,8-tetrahydro-4H-phenanthro[10,10a-b]pyrrol-2-yl) ester hydrobromide Formula: C22H26BrNO5 MolecularWeight: 464.34954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCC23CCN(C2CC4=C(C3=C1)C(=C(C=C4)OC)OC(=O)C)C.Br

Isomeric SMILES

CC(=O)OC1=CCC23CCN(C2CC4=C(C3=C1)C(=C(C=C4)OC)OC(=O)C)C.Br

InChI

InChI=1S/C22H25NO5.BrH/c1-13(24)27-16-7-8-22-9-10-23(3)19(22)11-15-5-6-18(26-4)21(28-14(2)25)20(15)17(22)12-16;/h5-7,12,19H,8-11H2,1-4H3;1H