tert-butyl 2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]benzoate

Systemtic Name: tert-butyl 2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]benzoate Openeye Name: tert-butyl 2-[4-(2,5-dimethylpyrrol-1-yl)-1-piperidyl]benzoate CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)-1-piperidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]benzoate Traditional Name: 2-[4-(2,5-dimethylpyrrol-1-yl)piperidino]benzoic acid tert-butyl ester Formula: C22H30N2O2 MolecularWeight: 354.4858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2CCN(CC2)C3=CC=CC=C3C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2CCN(CC2)C3=CC=CC=C3C(=O)OC(C)(C)C)C

InChI

InChI=1S/C22H30N2O2/c1-16-10-11-17(2)24(16)18-12-14-23(15-13-18)20-9-7-6-8-19(20)21(25)26-22(3,4)5/h6-11,18H,12-15H2,1-5H3