(E)-3-ethoxycarbonyl-6-(2-methoxy-3-methyl-6-propan-2-yl-phenyl)hex-3-en-5-ynoic acid

Systemtic Name: (E)-3-ethoxycarbonyl-6-(2-methoxy-3-methyl-6-propan-2-yl-phenyl)hex-3-en-5-ynoic acid Openeye Name: (E)-3-ethoxycarbonyl-6-(6-isopropyl-2-methoxy-3-methyl-phenyl)hex-3-en-5-ynoic acid CAS Name: (E)-3-ethoxycarbonyl-6-(2-methoxy-3-methyl-6-propan-2-ylphenyl)hex-3-en-5-ynoic acid IUPAC Name: (E)-3-ethoxycarbonyl-6-(2-methoxy-3-methyl-6-propan-2-ylphenyl)hex-3-en-5-ynoic acid Traditional Name: (E)-3-carbethoxy-6-(6-isopropyl-2-methoxy-3-methyl-phenyl)hex-3-en-5-ynoic acid Formula: C20H24O5 MolecularWeight: 344.40156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC#CC1=C(C=CC(=C1OC)C)C(C)C)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C#CC1=C(C=CC(=C1OC)C)C(C)C)/CC(=O)O

InChI

InChI=1S/C20H24O5/c1-6-25-20(23)15(12-18(21)22)8-7-9-17-16(13(2)3)11-10-14(4)19(17)24-5/h8,10-11,13H,6,12H2,1-5H3,(H,21,22)/b15-8+