2-methyl-2-[(3S,4R)-4-oxidanyl-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]propanoic acid

Systemtic Name: 2-methyl-2-[(3S,4R)-4-oxidanyl-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]propanoic acid Openeye Name: 2-[(3S,4R)-4-hydroxy-3-(2-pyridylmethyl)chroman-7-yl]-2-methyl-propanoic acid CAS Name: 2-[(3S,4R)-4-hydroxy-3-(2-pyridinylmethyl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid IUPAC Name: 2-[(3S,4R)-4-hydroxy-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid Traditional Name: 2-[(3S,4R)-4-hydroxy-3-(2-pyridylmethyl)chroman-7-yl]-2-methyl-propionic acid Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)C(C(CO2)CC3=CC=CC=N3)O)C(=O)O

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)[C@@H]([C@H](CO2)CC3=CC=CC=N3)O)C(=O)O

InChI

InChI=1S/C19H21NO4/c1-19(2,18(22)23)13-6-7-15-16(10-13)24-11-12(17(15)21)9-14-5-3-4-8-20-14/h3-8,10,12,17,21H,9,11H2,1-2H3,(H,22,23)/t12-,17+/m0/s1