tert-butyl 3,5-dimethyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3,5-dimethyl-4-[2-[(3-phenylmethoxyphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-[2-(3-benzyloxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-(3-phenylmethoxyanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-dimethyl-4-[2-(3-phenylmethoxyanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(3-benzoxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C28H30N4O3 MolecularWeight: 470.5628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H30N4O3/c1-18-24(19(2)30-25(18)26(33)35-28(3,4)5)23-14-15-29-27(32-23)31-21-12-9-13-22(16-21)34-17-20-10-7-6-8-11-20/h6-16,30H,17H2,1-5H3,(H,29,31,32)