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

Systemtic Name: 2-ethoxy-4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 2-ethoxy-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 2-ethoxy-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 2-ethoxy-4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 2-ethoxy-4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]benzoic acid Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C28H31NO6/c1-2-33-27-15-20(9-12-25(27)28(31)32)19-10-13-26-21(14-19)8-11-24(35-26)17-29-16-22(30)18-34-23-6-4-3-5-7-23/h3-7,9-10,12-15,22,24,29-30H,2,8,11,16-18H2,1H3,(H,31,32)