5-[(Z)-2-ethylbut-2-enoyl]-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[(Z)-2-ethylbut-2-enoyl]-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(Z)-2-ethylbut-2-enoyl]-6-methyl-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-[(Z)-2-ethyl-1-oxobut-2-enyl]-6-methyl-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-[(Z)-2-ethylbut-2-enoyl]-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(Z)-2-ethylbut-2-enoyl]-6-methyl-coumaran-2-carboxylic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC)C(=O)C1=CC2=C(C=C1C)OC(C2)C(=O)O

Isomeric SMILES

CC/C(=C/C)/C(=O)C1=CC2=C(C=C1C)OC(C2)C(=O)O

InChI

InChI=1S/C16H18O4/c1-4-10(5-2)15(17)12-7-11-8-14(16(18)19)20-13(11)6-9(12)3/h4,6-7,14H,5,8H2,1-3H3,(H,18,19)/b10-4-