methyl (1R,2R)-2-[(2-bromanyl-5-methoxy-phenyl)methyl]-1-methyl-3-methylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R)-2-[(2-bromanyl-5-methoxy-phenyl)methyl]-1-methyl-3-methylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R)-2-[(2-bromo-5-methoxy-phenyl)methyl]-1-methyl-3-methylene-cyclohexanecarboxylate CAS Name: (1R,2R)-2-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-3-methylene-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-2-[(2-bromo-5-methoxyphenyl)methyl]-1-methyl-3-methylidenecyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-(2-bromo-5-methoxy-benzyl)-1-methyl-3-methylene-cyclohexanecarboxylic acid methyl ester Formula: C18H23BrO3 MolecularWeight: 367.27742

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=C)C1CC2=C(C=CC(=C2)OC)Br)C(=O)OC

Isomeric SMILES

C[C@]1(CCCC(=C)[C@H]1CC2=C(C=CC(=C2)OC)Br)C(=O)OC

InChI

InChI=1S/C18H23BrO3/c1-12-6-5-9-18(2,17(20)22-4)15(12)11-13-10-14(21-3)7-8-16(13)19/h7-8,10,15H,1,5-6,9,11H2,2-4H3/t15-,18-/m1/s1