tert-butyl 2-oxidanylidene-4-[2-(2-phenylmethoxyphenyl)ethyl]-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-4-[2-(2-phenylmethoxyphenyl)ethyl]-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 4-[2-(2-benzyloxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylate CAS Name: 2-oxo-4-[2-(2-phenylmethoxyphenyl)ethyl]-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-4-[2-(2-phenylmethoxyphenyl)ethyl]-1H-pyridine-3-carboxylate Traditional Name: 4-[2-(2-benzoxyphenyl)ethyl]-2-keto-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CNC1=O)CCC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CNC1=O)CCC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO4/c1-25(2,3)30-24(28)22-20(15-16-26-23(22)27)14-13-19-11-7-8-12-21(19)29-17-18-9-5-4-6-10-18/h4-12,15-16H,13-14,17H2,1-3H3,(H,26,27)