1-[(4-tert-butylphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-tert-butylphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(4-dimethylaminophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-(4-dimethylaminophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(4-dimethylaminophenyl)methyl]isonipecotic acid Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-25(2,3)21-10-6-18(7-11-21)23(19-8-12-22(13-9-19)26(4)5)27-16-14-20(15-17-27)24(28)29/h6-13,20,23H,14-17H2,1-5H3,(H,28,29)