methyl 4-[[5-azanyl-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-azanyl-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-amino-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]benzoyl]amino]benzoate CAS Name: 4-[[[5-amino-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]benzoyl]amino]benzoate Traditional Name: 4-[[5-amino-2-(2,4-ditert-amylphenoxy)benzoyl]amino]benzoic acid methyl ester Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)N)C(=O)NC3=CC=C(C=C3)C(=O)OC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)N)C(=O)NC3=CC=C(C=C3)C(=O)OC)C(C)(C)CC

InChI

InChI=1S/C31H38N2O4/c1-8-30(3,4)21-12-16-27(25(18-21)31(5,6)9-2)37-26-17-13-22(32)19-24(26)28(34)33-23-14-10-20(11-15-23)29(35)36-7/h10-19H,8-9,32H2,1-7H3,(H,33,34)