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

Systemtic Name: 2-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]ethanoic acid Openeye Name: 2-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]acetic acid CAS Name: 2-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]acetic acid IUPAC Name: 2-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]acetic acid Traditional Name: 2-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]acetic acid Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c22-17(15-2-1-7-20-10-15)12-21-11-16-5-4-14-8-13(9-19(23)24)3-6-18(14)25-16/h1-3,6-8,10,16-17,21-22H,4-5,9,11-12H2,(H,23,24)