ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]nipecotic acid ethyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C21H26N2O3/c1-4-26-21(25)18-6-5-13-22(14-18)20(24)17-9-11-19(12-10-17)23-15(2)7-8-16(23)3/h7-12,18H,4-6,13-14H2,1-3H3