methyl 7-bromanyl-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: methyl 7-bromanyl-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: methyl 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester Formula: C19H25BrO3 MolecularWeight: 381.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=CC(=C(C=C23)OC)Br)(C)C(=O)OC

Isomeric SMILES

CC12CCCC(C1CCC3=CC(=C(C=C23)OC)Br)(C)C(=O)OC

InChI

InChI=1S/C19H25BrO3/c1-18-8-5-9-19(2,17(21)23-4)16(18)7-6-12-10-14(20)15(22-3)11-13(12)18/h10-11,16H,5-9H2,1-4H3