1-[(4-chloranyl-1H-pyrrol-2-yl)carbonyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: 1-[(4-chloranyl-1H-pyrrol-2-yl)carbonyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: 1-(4-chloro-1H-pyrrole-2-carbonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(4-chloro-1H-pyrrol-2-yl)-oxomethyl]-4-phenyl-4-piperidinecarboxylate IUPAC Name: 1-(4-chloro-1H-pyrrole-2-carbonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-1H-pyrrole-2-carbonyl)-4-phenyl-isonipecotate Formula: C17H16ClN2O3- MolecularWeight: 331.77354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)[O-])C(=O)C3=CC(=CN3)Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)[O-])C(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C17H17ClN2O3/c18-13-10-14(19-11-13)15(21)20-8-6-17(7-9-20,16(22)23)12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H,22,23)/p-1