(Z)-2-[2-(3,3-dimethylbut-1-ynyl)-3-methyl-1-benzofuran-7-yl]-3-methoxy-prop-2-enoic acid

Systemtic Name: (Z)-2-[2-(3,3-dimethylbut-1-ynyl)-3-methyl-1-benzofuran-7-yl]-3-methoxy-prop-2-enoic acid Openeye Name: (Z)-2-[2-(3,3-dimethylbut-1-ynyl)-3-methyl-benzofuran-7-yl]-3-methoxy-prop-2-enoic acid CAS Name: (Z)-2-[2-(3,3-dimethylbut-1-ynyl)-3-methyl-7-benzofuranyl]-3-methoxy-2-propenoic acid IUPAC Name: (Z)-2-[2-(3,3-dimethylbut-1-ynyl)-3-methyl-1-benzofuran-7-yl]-3-methoxyprop-2-enoic acid Traditional Name: (Z)-2-[2-(3,3-dimethylbut-1-ynyl)-3-methyl-benzofuran-7-yl]-3-methoxy-acrylic acid Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2C(=COC)C(=O)O)C#CC(C)(C)C

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2/C(=C/OC)/C(=O)O)C#CC(C)(C)C

InChI

InChI=1S/C19H20O4/c1-12-13-7-6-8-14(15(11-22-5)18(20)21)17(13)23-16(12)9-10-19(2,3)4/h6-8,11H,1-5H3,(H,20,21)/b15-11-