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

Systemtic Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid Openeye Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(o-tolyl)but-3-enyl]piperidine-3-carboxylic acid CAS Name: 1-[(Z)-4-(1-ethyl-2-pyrrolyl)-4-(2-methylphenyl)but-3-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid Traditional Name: 1-[(Z)-4-(1-ethylpyrrol-2-yl)-4-(o-tolyl)but-3-enyl]nipecotic acid Formula: C23H30N2O2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC=C1C(=CCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCN1C=CC=C1/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3C

InChI

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