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

Systemtic Name: 4-[[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]benzoic acid Openeye Name: 4-[[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]methyl]benzoic acid CAS Name: 4-[[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]methyl]benzoic acid IUPAC Name: 4-[[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]benzoic acid Traditional Name: 4-[[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]methyl]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CC3=CC=C(C=C3)C(=O)O)OC1CNCC(C4=CN=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)CC3=CC=C(C=C3)C(=O)O)OC1CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C25H26N2O4/c28-23(21-2-1-11-26-14-21)16-27-15-22-9-8-20-13-18(5-10-24(20)31-22)12-17-3-6-19(7-4-17)25(29)30/h1-7,10-11,13-14,22-23,27-28H,8-9,12,15-16H2,(H,29,30)