4-[2-[(4-chloranyl-2-methyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-chloranyl-2-methyl-2,3-dihydro-1-benzofuran-7-yl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-chloro-2-methyl-2,3-dihydrobenzofuran-7-carbonyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(4-chloro-2-methyl-2,3-dihydrobenzofuran-7-yl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-chloro-2-methyl-coumaran-7-carbonyl)amino]phenoxy]phthalic acid Formula: C24H18ClNO7 MolecularWeight: 467.85522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2O1)C(=O)NC3=CC=CC=C3OC4=CC(=C(C=C4)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=CC(=C2O1)C(=O)NC3=CC=CC=C3OC4=CC(=C(C=C4)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C24H18ClNO7/c1-12-10-17-18(25)9-8-15(21(17)32-12)22(27)26-19-4-2-3-5-20(19)33-13-6-7-14(23(28)29)16(11-13)24(30)31/h2-9,11-12H,10H2,1H3,(H,26,27)(H,28,29)(H,30,31)