8-[[6-chloranyl-2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-yl]carbonylamino]-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 8-[[6-chloranyl-2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-yl]carbonylamino]-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 8-[[6-chloro-2-(3-phenylpropyl)-2,3-dihydrobenzofuran-5-carbonyl]amino]-4-oxo-chromene-2-carboxylic acid CAS Name: 8-[[[6-chloro-2-(3-phenylpropyl)-2,3-dihydrobenzofuran-5-yl]-oxomethyl]amino]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 8-[[6-chloro-2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]-4-oxochromene-2-carboxylic acid Traditional Name: 8-[[6-chloro-2-(3-phenylpropyl)coumaran-5-carbonyl]amino]-4-keto-chromene-2-carboxylic acid Formula: C28H22ClNO6 MolecularWeight: 503.93038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C(=C2)Cl)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O)CCCC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=C1C=C(C(=C2)Cl)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O)CCCC5=CC=CC=C5

InChI

InChI=1S/C28H22ClNO6/c29-21-14-24-17(12-18(35-24)9-4-8-16-6-2-1-3-7-16)13-20(21)27(32)30-22-11-5-10-19-23(31)15-25(28(33)34)36-26(19)22/h1-3,5-7,10-11,13-15,18H,4,8-9,12H2,(H,30,32)(H,33,34)