1-[(2,4-dichlorophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(1H-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(1H-pyrrol-2-yl)methyl]isonipecotic acid Formula: C17H18Cl2N2O2 MolecularWeight: 353.24302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CN3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CN3

InChI

InChI=1S/C17H18Cl2N2O2/c18-12-3-4-13(14(19)10-12)16(15-2-1-7-20-15)21-8-5-11(6-9-21)17(22)23/h1-4,7,10-11,16,20H,5-6,8-9H2,(H,22,23)