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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(2-methylpropoxy)benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c1-19(2)17-32-23-12-8-21(9-13-23)27(31)33-24-14-10-22(11-15-24)30-26-16-25(28-18-29-26)20-6-4-3-5-7-20/h3-16,18-19H,17H2,1-2H3,(H,28,29,30)