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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=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=CC(=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)30-23-15-20(26(33)34-4)10-13-22(23)29-25(32)19-7-5-6-17(14-19)16-28/h5-15H,1-4H3,(H,29,32)(H,30,31)