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

Systemtic Name: 4-[2-[[(2-oxidanyl-3-pyridin-3-yloxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[2-hydroxy-3-(3-pyridyloxy)propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[2-hydroxy-3-(3-pyridinyloxy)propyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-3-pyridin-3-yloxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[2-hydroxy-3-(3-pyridyloxy)propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5/c28-21(16-31-22-2-1-11-26-14-22)13-27-15-23-9-7-20-12-19(8-10-24(20)32-23)17-3-5-18(6-4-17)25(29)30/h1-6,8,10-12,14,21,23,27-28H,7,9,13,15-16H2,(H,29,30)