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

Systemtic Name: 2-[cyclopropylmethyl-(3,5-ditert-butylphenyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 2-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyrimidine-5-carboxylic acid CAS Name: 2-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyrimidine-5-carboxylic acid Traditional Name: 2-[3,5-ditert-butyl-N-(cyclopropylmethyl)anilino]pyrimidine-5-carboxylic acid Formula: C23H31N3O2 MolecularWeight: 381.51114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)N(CC2CC2)C3=NC=C(C=N3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)N(CC2CC2)C3=NC=C(C=N3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C23H31N3O2/c1-22(2,3)17-9-18(23(4,5)6)11-19(10-17)26(14-15-7-8-15)21-24-12-16(13-25-21)20(27)28/h9-13,15H,7-8,14H2,1-6H3,(H,27,28)