methyl 4-[(4-tert-butylphenyl)carbonylamino]-3-[(3-cyanophenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(4-tert-butylphenyl)carbonylamino]-3-[(3-cyanophenyl)carbonylamino]benzoate Openeye Name: methyl 4-[(4-tert-butylbenzoyl)amino]-3-[(3-cyanobenzoyl)amino]benzoate CAS Name: 4-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-[[(3-cyanophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-tert-butylbenzoyl)amino]-3-[(3-cyanobenzoyl)amino]benzoate Traditional Name: 4-[(4-tert-butylbenzoyl)amino]-3-[(3-cyanobenzoyl)amino]benzoic acid methyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4/c1-27(2,3)21-11-8-18(9-12-21)24(31)29-22-13-10-20(26(33)34-4)15-23(22)30-25(32)19-7-5-6-17(14-19)16-28/h5-15H,1-4H3,(H,29,31)(H,30,32)