methyl 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoate CAS Name: 4-[[(4,6-ditert-butyl-2-pyrimidinyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoate Traditional Name: 4-[(4,6-ditert-butylpyrimidin-2-yl)carbamoyl]benzoic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C21H27N3O3/c1-20(2,3)15-12-16(21(4,5)6)23-19(22-15)24-17(25)13-8-10-14(11-9-13)18(26)27-7/h8-12H,1-7H3,(H,22,23,24,25)