2-[(3,5-ditert-butylphenyl)-ethyl-amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3,5-ditert-butylphenyl)-ethyl-amino]pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-ditert-butyl-N-ethyl-anilino)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-ditert-butyl-N-ethylanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-ditert-butyl-N-ethylanilino)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-ditert-butyl-N-ethyl-anilino)pyrimidine-5-carboxylic acid Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C2=NC=C(C=N2)C(=O)O

Isomeric SMILES

CCN(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C2=NC=C(C=N2)C(=O)O

InChI

InChI=1S/C21H29N3O2/c1-8-24(19-22-12-14(13-23-19)18(25)26)17-10-15(20(2,3)4)9-16(11-17)21(5,6)7/h9-13H,8H2,1-7H3,(H,25,26)