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

Systemtic Name: 1-[(4-tert-butylphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(1-ethyl-2-benzimidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(1-ethylbenzimidazol-2-yl)methyl]isonipecotic acid Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)C(C)(C)C)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)C(C)(C)C)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H33N3O2/c1-5-29-22-9-7-6-8-21(22)27-24(29)23(28-16-14-19(15-17-28)25(30)31)18-10-12-20(13-11-18)26(2,3)4/h6-13,19,23H,5,14-17H2,1-4H3,(H,30,31)