ethyl 4-[2-[2-[(4-phenylmethoxyphenyl)amino]pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(4-phenylmethoxyphenyl)amino]pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(4-benzyloxyanilino)pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[2-[2-(4-phenylmethoxyanilino)-4-pyrimidinyl]-1-imidazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-phenylmethoxyanilino)pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2-[2-(4-benzoxyanilino)pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C28H30N6O3 MolecularWeight: 498.5762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CN=C2C3=NC(=NC=C3)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CN=C2C3=NC(=NC=C3)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H30N6O3/c1-2-36-28(35)33-17-13-23(14-18-33)34-19-16-29-26(34)25-12-15-30-27(32-25)31-22-8-10-24(11-9-22)37-20-21-6-4-3-5-7-21/h3-12,15-16,19,23H,2,13-14,17-18,20H2,1H3,(H,30,31,32)