(E)-4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3-methoxycarbonyl-but-3-enoic acid

Systemtic Name: (E)-4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3-methoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-(2,2-dimethyl-3H-benzofuran-5-yl)-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(2,2-dimethyl-3H-benzofuran-5-yl)-3-methoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3-methoxycarbonylbut-3-enoic acid Traditional Name: (E)-3-carbomethoxy-4-(2,2-dimethylcoumaran-5-yl)but-3-enoic acid Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C=CC(=C2)C=C(CC(=O)O)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(O1)C=CC(=C2)/C=C(\CC(=O)O)/C(=O)OC)C

InChI

InChI=1S/C16H18O5/c1-16(2)9-12-7-10(4-5-13(12)21-16)6-11(8-14(17)18)15(19)20-3/h4-7H,8-9H2,1-3H3,(H,17,18)/b11-6+