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

Systemtic Name: (phenylmethyl) 4-[(4-tert-butylphenyl)carbonylamino]-3-[(3-cyanophenyl)carbonylamino]benzoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-tert-butylbenzoyl)amino]-3-[(3-cyanobenzoyl)amino]benzoate Traditional Name: 4-[(4-tert-butylbenzoyl)amino]-3-[(3-cyanobenzoyl)amino]benzoic acid benzyl ester Formula: C33H29N3O4 MolecularWeight: 531.60106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C33H29N3O4/c1-33(2,3)27-15-12-24(13-16-27)30(37)35-28-17-14-26(32(39)40-21-22-8-5-4-6-9-22)19-29(28)36-31(38)25-11-7-10-23(18-25)20-34/h4-19H,21H2,1-3H3,(H,35,37)(H,36,38)