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

Systemtic Name: 4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyridine-2-carboxylic acid Openeye Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]pyridine-2-carboxylic acid CAS Name: 4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-pyridinecarboxylic acid IUPAC Name: 4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyridine-2-carboxylic acid Traditional Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]picolinic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c27-21(18-2-1-8-24-12-18)14-25-13-19-5-3-17-10-15(4-6-22(17)30-19)16-7-9-26-20(11-16)23(28)29/h1-2,4,6-12,19,21,25,27H,3,5,13-14H2,(H,28,29)