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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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