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

Systemtic Name: 4-[2-[[(3-dibenzofuran-2-yloxy-2-oxidanyl-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[(3-dibenzofuran-2-yloxy-2-hydroxy-propyl)amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-(2-dibenzofuranyloxy)-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[(3-dibenzofuran-2-yloxy-2-hydroxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[(3-dibenzofuran-2-yloxy-2-hydroxy-propyl)amino]methyl]chroman-6-yl]benzoic acid Formula: C32H29NO6 MolecularWeight: 523.57576

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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=CC5=C(C=C4)OC6=CC=CC=C65)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OC1CNCC(COC4=CC5=C(C=C4)OC6=CC=CC=C65)O

InChI

InChI=1S/C32H29NO6/c34-24(19-37-25-12-14-31-28(16-25)27-3-1-2-4-30(27)39-31)17-33-18-26-11-9-23-15-22(10-13-29(23)38-26)20-5-7-21(8-6-20)32(35)36/h1-8,10,12-16,24,26,33-34H,9,11,17-19H2,(H,35,36)