ethyl 5-(2,5-dimethylpyrrol-1-yl)-2-piperidin-1-yl-benzoate

Systemtic Name: ethyl 5-(2,5-dimethylpyrrol-1-yl)-2-piperidin-1-yl-benzoate Openeye Name: ethyl 5-(2,5-dimethylpyrrol-1-yl)-2-(1-piperidyl)benzoate CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)-2-(1-piperidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-(2,5-dimethylpyrrol-1-yl)-2-piperidin-1-ylbenzoate Traditional Name: 5-(2,5-dimethylpyrrol-1-yl)-2-piperidino-benzoic acid ethyl ester Formula: C20H26N2O2 MolecularWeight: 326.43264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N2C(=CC=C2C)C)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N2C(=CC=C2C)C)N3CCCCC3

InChI

InChI=1S/C20H26N2O2/c1-4-24-20(23)18-14-17(22-15(2)8-9-16(22)3)10-11-19(18)21-12-6-5-7-13-21/h8-11,14H,4-7,12-13H2,1-3H3