3-[3-oxidanylidene-5-(pyridin-3-ylmethyl)-1,2-dihydroinden-2-yl]propanoic acid

Systemtic Name: 3-[3-oxidanylidene-5-(pyridin-3-ylmethyl)-1,2-dihydroinden-2-yl]propanoic acid Openeye Name: 3-[1-oxo-6-(3-pyridylmethyl)indan-2-yl]propanoic acid CAS Name: 3-[3-oxo-5-(3-pyridinylmethyl)-1,2-dihydroinden-2-yl]propanoic acid IUPAC Name: 3-[3-oxo-5-(pyridin-3-ylmethyl)-1,2-dihydroinden-2-yl]propanoic acid Traditional Name: 3-[1-keto-6-(3-pyridylmethyl)indan-2-yl]propionic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C=CC(=C2)CC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

C1C(C(=O)C2=C1C=CC(=C2)CC3=CN=CC=C3)CCC(=O)O

InChI

InChI=1S/C18H17NO3/c20-17(21)6-5-15-10-14-4-3-12(9-16(14)18(15)22)8-13-2-1-7-19-11-13/h1-4,7,9,11,15H,5-6,8,10H2,(H,20,21)