[4-[6-[4-(3,5-ditert-butylphenyl)carbonyloxyphenyl]pyridin-2-yl]phenyl] 3,5-ditert-butylbenzoate

Systemtic Name: [4-[6-[4-(3,5-ditert-butylphenyl)carbonyloxyphenyl]pyridin-2-yl]phenyl] 3,5-ditert-butylbenzoate Openeye Name: [4-[6-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]-2-pyridyl]phenyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [4-[6-[4-[(3,5-ditert-butylphenyl)-oxomethoxy]phenyl]-2-pyridinyl]phenyl] ester IUPAC Name: [4-[6-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]pyridin-2-yl]phenyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [4-[6-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]-2-pyridyl]phenyl] ester Formula: C47H53NO4 MolecularWeight: 695.92802

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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=NC(=CC=C3)C4=CC=C(C=C4)OC(=O)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3=NC(=CC=C3)C4=CC=C(C=C4)OC(=O)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C47H53NO4/c1-44(2,3)34-24-32(25-35(28-34)45(4,5)6)42(49)51-38-20-16-30(17-21-38)40-14-13-15-41(48-40)31-18-22-39(23-19-31)52-43(50)33-26-36(46(7,8)9)29-37(27-33)47(10,11)12/h13-29H,1-12H3