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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=CCCN2CCCCC2C(=O)O)C3=CC=CN3C

Isomeric SMILES

CN1C=CC=C1C(=CCCN2CCCCC2C(=O)O)C3=CC=CN3C

InChI

InChI=1S/C20H27N3O2/c1-21-12-6-10-17(21)16(18-11-7-13-22(18)2)8-5-15-23-14-4-3-9-19(23)20(24)25/h6-8,10-13,19H,3-5,9,14-15H2,1-2H3,(H,24,25)