(4-quinoxalin-2-ylphenyl) 3,5-ditert-butylbenzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 3,5-ditert-butylbenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)C(C)(C)C

InChI

InChI=1S/C29H30N2O2/c1-28(2,3)21-15-20(16-22(17-21)29(4,5)6)27(32)33-23-13-11-19(12-14-23)26-18-30-24-9-7-8-10-25(24)31-26/h7-18H,1-6H3