3,5-bis[4-[(4-tert-butylphenyl)carbonylamino]phenoxy]benzoic acid

Systemtic Name: 3,5-bis[4-[(4-tert-butylphenyl)carbonylamino]phenoxy]benzoic acid Openeye Name: 3,5-bis[4-[(4-tert-butylbenzoyl)amino]phenoxy]benzoic acid CAS Name: 3,5-bis[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenoxy]benzoic acid IUPAC Name: 3,5-bis[4-[(4-tert-butylbenzoyl)amino]phenoxy]benzoic acid Traditional Name: 3,5-bis[4-[(4-tert-butylbenzoyl)amino]phenoxy]benzoic acid Formula: C41H40N2O6 MolecularWeight: 656.7661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)O)OC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)O)OC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C41H40N2O6/c1-40(2,3)29-11-7-26(8-12-29)37(44)42-31-15-19-33(20-16-31)48-35-23-28(39(46)47)24-36(25-35)49-34-21-17-32(18-22-34)43-38(45)27-9-13-30(14-10-27)41(4,5)6/h7-25H,1-6H3,(H,42,44)(H,43,45)(H,46,47)