1-[1-(3-oxidanyl-2-oxidanylidene-1H-pyridin-4-yl)-2-phenyl-ethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-(3-oxidanyl-2-oxidanylidene-1H-pyridin-4-yl)-2-phenyl-ethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(3-hydroxy-2-oxo-1H-pyridin-4-yl)-2-phenyl-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-(3-hydroxy-2-oxo-1H-pyridin-4-yl)-2-phenylethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-(3-hydroxy-2-oxo-1H-pyridin-4-yl)-2-phenylethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-(3-hydroxy-2-keto-1H-pyridin-4-yl)-2-phenyl-ethyl]proline Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(CC2=CC=CC=C2)C3=C(C(=O)NC=C3)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(CC2=CC=CC=C2)C3=C(C(=O)NC=C3)O)C(=O)O

InChI

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