4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-piperidin-1-yl-benzoic acid

Systemtic Name: 4-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-piperidin-1-yl-benzoic acid Openeye Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-2-(1-piperidyl)benzoic acid CAS Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-(1-piperidinyl)benzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-piperidin-1-ylbenzoic acid Traditional Name: 4-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]-2-piperidino-benzoic acid Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(COC5=CC=CC=C5)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(COC5=CC=CC=C5)O)C(=O)O

InChI

InChI=1S/C31H36N2O5/c34-25(21-37-26-7-3-1-4-8-26)19-32-20-27-12-9-24-17-22(11-14-30(24)38-27)23-10-13-28(31(35)36)29(18-23)33-15-5-2-6-16-33/h1,3-4,7-8,10-11,13-14,17-18,25,27,32,34H,2,5-6,9,12,15-16,19-21H2,(H,35,36)