(2S,4Z)-4-[(5R,6S)-6-chloranyl-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ylidene]-2-methyl-2-phenylmethoxy-butanoic acid

Systemtic Name: (2S,4Z)-4-[(5R,6S)-6-chloranyl-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ylidene]-2-methyl-2-phenylmethoxy-butanoic acid Openeye Name: (2S,4Z)-2-benzyloxy-4-[(5R,6S)-6-chloro-5-isopropenyl-2-methyl-cyclohex-2-en-1-ylidene]-2-methyl-butanoic acid CAS Name: (2S,4Z)-4-[(5R,6S)-6-chloro-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enylidene]-2-methyl-2-phenylmethoxybutanoic acid IUPAC Name: (2S,4Z)-4-[(5R,6S)-6-chloro-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]-2-methyl-2-phenylmethoxybutanoic acid Traditional Name: (2S,4Z)-2-benzoxy-4-[(5R,6S)-6-chloro-5-isopropenyl-2-methyl-cyclohex-2-en-1-ylidene]-2-methyl-butyric acid Formula: C22H27ClO3 MolecularWeight: 374.90098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1=CCC(C)(C(=O)O)OCC2=CC=CC=C2)Cl)C(=C)C

Isomeric SMILES

CC\1=CC[C@@H]([C@@H](/C1=C\C[C@@](C)(C(=O)O)OCC2=CC=CC=C2)Cl)C(=C)C

InChI

InChI=1S/C22H27ClO3/c1-15(2)18-11-10-16(3)19(20(18)23)12-13-22(4,21(24)25)26-14-17-8-6-5-7-9-17/h5-10,12,18,20H,1,11,13-14H2,2-4H3,(H,24,25)/b19-12-/t18-,20+,22+/m1/s1