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

Systemtic Name: 3-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoic acid Openeye Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]propanoic acid CAS Name: 3-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]propanoic acid IUPAC Name: 3-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]propanoic acid Traditional Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]propionic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CCC(=O)O)OC1CNCC(C3=CN=CC=C3)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)CCC(=O)O)OC1CNCC(C3=CN=CC=C3)O

InChI

InChI=1S/C20H24N2O4/c23-18(16-2-1-9-21-11-16)13-22-12-17-6-5-15-10-14(4-8-20(24)25)3-7-19(15)26-17/h1-3,7,9-11,17-18,22-23H,4-6,8,12-13H2,(H,24,25)