methyl (1S)-3-[(2-bromanyl-3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S)-3-[(2-bromanyl-3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S)-3-[(4-benzyloxy-2-bromo-3-methoxy-phenyl)methyl]-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1S)-3-[(2-bromo-3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S)-3-[(2-bromo-3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1S)-3-(4-benzoxy-2-bromo-3-methoxy-benzyl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C24H25BrO5 MolecularWeight: 473.3563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CCC1C(=O)OC)CC2=C(C(=C(C=C2)OCC3=CC=CC=C3)OC)Br

Isomeric SMILES

CC1=C(C(=O)CC[C@@H]1C(=O)OC)CC2=C(C(=C(C=C2)OCC3=CC=CC=C3)OC)Br

InChI

InChI=1S/C24H25BrO5/c1-15-18(24(27)29-3)10-11-20(26)19(15)13-17-9-12-21(23(28-2)22(17)25)30-14-16-7-5-4-6-8-16/h4-9,12,18H,10-11,13-14H2,1-3H3/t18-/m0/s1