tert-butyl 4-[2-(2,5-dimethylpyrrol-1-yl)phenyl]-4H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,5-dimethylpyrrol-1-yl)phenyl]-4H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,5-dimethylpyrrol-1-yl)phenyl]-4H-pyridine-1-carboxylate CAS Name: 4-[2-(2,5-dimethyl-1-pyrrolyl)phenyl]-4H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,5-dimethylpyrrol-1-yl)phenyl]-4H-pyridine-1-carboxylate Traditional Name: 4-[2-(2,5-dimethylpyrrol-1-yl)phenyl]-4H-pyridine-1-carboxylic acid tert-butyl ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC=C2C3C=CN(C=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC=C2C3C=CN(C=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H26N2O2/c1-16-10-11-17(2)24(16)20-9-7-6-8-19(20)18-12-14-23(15-13-18)21(25)26-22(3,4)5/h6-15,18H,1-5H3