methyl 10-bromanyl-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl 10-bromanyl-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl 10-bromo-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate CAS Name: 10-bromo-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl 10-bromo-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate Traditional Name: 10-bromo-7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C21H27BrO3 MolecularWeight: 407.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3C(C2=O)Br)(C)C(=O)OC)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3C(C2=O)Br)(C)C(=O)OC)C

InChI

InChI=1S/C21H27BrO3/c1-12(2)13-7-8-15-14(11-13)17(23)16(22)18-20(15,3)9-6-10-21(18,4)19(24)25-5/h7-8,11-12,16,18H,6,9-10H2,1-5H3