4-[8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]benzoic acid

Systemtic Name: 4-[8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]benzoic acid Openeye Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)-4-oxo-chromen-2-yl]benzoic acid CAS Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-4-oxo-1-benzopyran-2-yl]benzoic acid IUPAC Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)-4-oxochromen-2-yl]benzoic acid Traditional Name: 4-[5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)-4-keto-chromen-2-yl]benzoic acid Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)C(=O)O)O)O

Isomeric SMILES

CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)C(=O)O)O)O

InChI

InChI=1S/C22H21NO7/c1-23-7-6-13(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(30-21(19)20)11-2-4-12(5-3-11)22(28)29/h2-5,8-9,13,17,24-25,27H,6-7,10H2,1H3,(H,28,29)