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

Systemtic Name: 1-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(1H-pyrrol-2-yl)methyl]isonipecotic acid Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H25N3O2/c1-21(2)16-7-5-14(6-8-16)18(17-4-3-11-20-17)22-12-9-15(10-13-22)19(23)24/h3-8,11,15,18,20H,9-10,12-13H2,1-2H3,(H,23,24)