2-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(6-methyl-5-propan-2-yl-3-benzofuranyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetyl]amino]terephthalic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C(C)C

InChI

InChI=1S/C22H21NO6/c1-11(2)16-9-17-14(10-29-19(17)6-12(16)3)8-20(24)23-18-7-13(21(25)26)4-5-15(18)22(27)28/h4-7,9-11H,8H2,1-3H3,(H,23,24)(H,25,26)(H,27,28)