[2-tert-butyl-4-[(5-phenylpyrazin-2-yl)amino]phenyl] 3,3-dimethylbutanoate

Systemtic Name: [2-tert-butyl-4-[(5-phenylpyrazin-2-yl)amino]phenyl] 3,3-dimethylbutanoate Openeye Name: [2-tert-butyl-4-[(5-phenylpyrazin-2-yl)amino]phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-tert-butyl-4-[(5-phenyl-2-pyrazinyl)amino]phenyl] ester IUPAC Name: [2-tert-butyl-4-[(5-phenylpyrazin-2-yl)amino]phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-tert-butyl-4-[(5-phenylpyrazin-2-yl)amino]phenyl] ester Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=NC=C(N=C2)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=NC=C(N=C2)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C26H31N3O2/c1-25(2,3)15-24(30)31-22-13-12-19(14-20(22)26(4,5)6)29-23-17-27-21(16-28-23)18-10-8-7-9-11-18/h7-14,16-17H,15H2,1-6H3,(H,28,29)