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

Systemtic Name: 4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O)OC1CNCC(COC4=CC=CC=C4)O

Isomeric SMILES

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

InChI

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