methyl 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]cyclopentane-1-carboxylate

Systemtic Name: methyl 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]cyclopentane-1-carboxylate Openeye Name: methyl 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]cyclopentanecarboxylate CAS Name: 1-[[4-[[5-(4-methoxyphenyl)-2-pyrimidinyl]amino]phenyl]methylamino]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]cyclopentane-1-carboxylate Traditional Name: 1-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzyl]amino]cyclopentanecarboxylic acid methyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CNC4(CCCC4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)NC3=CC=C(C=C3)CNC4(CCCC4)C(=O)OC

InChI

InChI=1S/C25H28N4O3/c1-31-22-11-7-19(8-12-22)20-16-26-24(27-17-20)29-21-9-5-18(6-10-21)15-28-25(23(30)32-2)13-3-4-14-25/h5-12,16-17,28H,3-4,13-15H2,1-2H3,(H,26,27,29)