1-[(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(1-methylpyrrol-2-yl)methyl]isonipecotic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CN2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CN2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H30N2O2/c1-22(2,3)18-9-7-16(8-10-18)20(19-6-5-13-23(19)4)24-14-11-17(12-15-24)21(25)26/h5-10,13,17,20H,11-12,14-15H2,1-4H3,(H,25,26)