5-[[(E)-[(2R)-2-butoxy-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(E)-[(2R)-2-butoxy-4-oxidanylidene-chromen-3-ylidene]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[(E)-[(2R)-2-butoxy-4-oxo-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[(E)-[(2R)-2-butoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[(E)-[(2R)-2-butoxy-4-oxochromen-3-ylidene]methyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[(E)-[(2R)-2-butoxy-4-keto-chroman-3-ylidene]methyl]amino]-2-hydroxy-benzoic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(=CNC2=CC(=C(C=C2)O)C(=O)O)C(=O)C3=CC=CC=C3O1

Isomeric SMILES

CCCCO[C@H]1/C(=C\NC2=CC(=C(C=C2)O)C(=O)O)/C(=O)C3=CC=CC=C3O1

InChI

InChI=1S/C21H21NO6/c1-2-3-10-27-21-16(19(24)14-6-4-5-7-18(14)28-21)12-22-13-8-9-17(23)15(11-13)20(25)26/h4-9,11-12,21-23H,2-3,10H2,1H3,(H,25,26)/b16-12-/t21-/m1/s1