[4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-(2-methylpropoxy)benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OCC(C)C

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OCC(C)C

InChI

InChI=1S/C22H23N3O3/c1-15(2)13-27-20-6-4-5-17(12-20)22(26)28-19-9-7-18(8-10-19)25-21-11-16(3)23-14-24-21/h4-12,14-15H,13H2,1-3H3,(H,23,24,25)