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

Systemtic Name: 3-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 3-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 3-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO5/c28-22(17-31-23-7-2-1-3-8-23)15-27-16-24-11-9-20-13-19(10-12-25(20)32-24)18-5-4-6-21(14-18)26(29)30/h1-8,10,12-14,22,24,27-28H,9,11,15-17H2,(H,29,30)