2-oxidanyl-4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 2-oxidanyl-4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 2-hydroxy-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 2-hydroxy-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 2-hydroxy-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 2-hydroxy-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)O)OC1CNCC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)O)OC1CNCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C26H27NO6/c28-20(16-32-21-4-2-1-3-5-21)14-27-15-22-9-6-19-12-17(8-11-25(19)33-22)18-7-10-23(26(30)31)24(29)13-18/h1-5,7-8,10-13,20,22,27-29H,6,9,14-16H2,(H,30,31)