1-[4,4-bis(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4,4-bis(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[4,4-bis(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[4,4-bis(1-methyl-2-pyrrolyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[4,4-bis(1-methylpyrrol-2-yl)but-3-enyl]nipecotic acid Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3C

Isomeric SMILES

CN1C=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3C

InChI

InChI=1S/C20H27N3O2/c1-21-11-5-9-18(21)17(19-10-6-12-22(19)2)8-4-14-23-13-3-7-16(15-23)20(24)25/h5-6,8-12,16H,3-4,7,13-15H2,1-2H3,(H,24,25)