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

Systemtic Name: 4-oxidanylidene-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-yl]carbonylamino]chromene-2-carboxylic acid Openeye Name: 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydrobenzofuran-5-carbonyl]amino]chromene-2-carboxylic acid CAS Name: 4-oxo-8-[[oxo-[2-(3-phenylpropyl)-2,3-dihydrobenzofuran-5-yl]methyl]amino]-1-benzopyran-2-carboxylic acid IUPAC Name: 4-oxo-8-[[2-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]chromene-2-carboxylic acid Traditional Name: 4-keto-8-[[2-(3-phenylpropyl)coumaran-5-carbonyl]amino]chromene-2-carboxylic acid Formula: C28H23NO6 MolecularWeight: 469.48532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO6/c30-23-16-25(28(32)33)35-26-21(23)10-5-11-22(26)29-27(31)18-12-13-24-19(14-18)15-20(34-24)9-4-8-17-6-2-1-3-7-17/h1-3,5-7,10-14,16,20H,4,8-9,15H2,(H,29,31)(H,32,33)