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

Systemtic Name: 2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Openeye Name: 2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chromane-6-carboxylic acid CAS Name: 2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Traditional Name: 2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-carboxylic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c21-16(14-2-1-7-19-9-14)11-20-10-15-5-3-12-8-13(18(22)23)4-6-17(12)24-15/h1-2,4,6-9,15-16,20-21H,3,5,10-11H2,(H,22,23)