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

Systemtic Name: 1-[4,4-bis(1-ethylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[4,4-bis(1-ethylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[4,4-bis(1-ethyl-2-pyrrolyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis(1-ethylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[4,4-bis(1-ethylpyrrol-2-yl)but-3-enyl]nipecotic acid Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3CC

Isomeric SMILES

CCN1C=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3CC

InChI

InChI=1S/C22H31N3O2/c1-3-24-15-7-11-20(24)19(21-12-8-16-25(21)4-2)10-6-14-23-13-5-9-18(17-23)22(26)27/h7-8,10-12,15-16,18H,3-6,9,13-14,17H2,1-2H3,(H,26,27)