1-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(4-ethylphenyl)-2,5-dimethyl-3-pyrrolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-(4-ethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]isonipecotic acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)CN3CCC(CC3)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)CN3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H28N2O2/c1-4-17-5-7-20(8-6-17)23-15(2)13-19(16(23)3)14-22-11-9-18(10-12-22)21(24)25/h5-8,13,18H,4,9-12,14H2,1-3H3,(H,24,25)