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

Systemtic Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(1-ethyl-2-pyrrolyl)-4-phenylbut-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-phenyl-but-3-enyl]nipecotic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C=CC=C1/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-24-16-8-13-21(24)20(18-9-4-3-5-10-18)12-7-15-23-14-6-11-19(17-23)22(25)26/h3-5,8-10,12-13,16,19H,2,6-7,11,14-15,17H2,1H3,(H,25,26)/b20-12-