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

Systemtic Name: 1-[(Z)-4-(2-ethylphenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(2-ethylphenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(2-ethylphenyl)-4-(1-methyl-2-pyrrolyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(2-ethylphenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(2-ethylphenyl)-4-(1-methylpyrrol-2-yl)but-3-enyl]nipecotic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CN3C

Isomeric SMILES

CCC1=CC=CC=C1/C(=C/CCN2CCCC(C2)C(=O)O)/C3=CC=CN3C

InChI

InChI=1S/C23H30N2O2/c1-3-18-9-4-5-11-20(18)21(22-13-8-14-24(22)2)12-7-16-25-15-6-10-19(17-25)23(26)27/h4-5,8-9,11-14,19H,3,6-7,10,15-17H2,1-2H3,(H,26,27)/b21-12-