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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-(2-methylpropoxy)benzoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-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=CC(=C1)C(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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