1-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]isonipecotic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H30N2O2/c1-25(2,3)19-10-8-17(9-11-19)23(27-14-12-18(13-15-27)24(28)29)21-16-26-22-7-5-4-6-20(21)22/h4-11,16,18,23,26H,12-15H2,1-3H3,(H,28,29)