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

Systemtic Name: 2-[(3,5-ditert-butylphenyl)-propyl-amino]pyrimidine-5-carboxylic acid Openeye Name: 2-(3,5-ditert-butyl-N-propyl-anilino)pyrimidine-5-carboxylic acid CAS Name: 2-(3,5-ditert-butyl-N-propylanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3,5-ditert-butyl-N-propylanilino)pyrimidine-5-carboxylic acid Traditional Name: 2-(3,5-ditert-butyl-N-propyl-anilino)pyrimidine-5-carboxylic acid Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2/c1-8-9-25(20-23-13-15(14-24-20)19(26)27)18-11-16(21(2,3)4)10-17(12-18)22(5,6)7/h10-14H,8-9H2,1-7H3,(H,26,27)