tert-butyl 3-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]propanoate

Systemtic Name: tert-butyl 3-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]propanoate Openeye Name: tert-butyl 3-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]propanoate CAS Name: 3-[[4-[[5-(4-methoxyphenyl)-2-pyrimidinyl]amino]phenyl]methylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylamino]propanoate Traditional Name: 3-[[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzyl]amino]propionic acid tert-butyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNCC1=CC=C(C=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCNCC1=CC=C(C=C1)NC2=NC=C(C=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H30N4O3/c1-25(2,3)32-23(30)13-14-26-15-18-5-9-21(10-6-18)29-24-27-16-20(17-28-24)19-7-11-22(31-4)12-8-19/h5-12,16-17,26H,13-15H2,1-4H3,(H,27,28,29)