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

Systemtic Name: methyl 3-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate CAS Name: 3-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate Traditional Name: 3-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoic acid methyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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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)C(=O)NNC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C27H27N3O5/c1-27(2,3)21-12-8-17(9-13-21)23(31)28-22-14-10-18(11-15-22)24(32)29-30-25(33)19-6-5-7-20(16-19)26(34)35-4/h5-16H,1-4H3,(H,28,31)(H,29,32)(H,30,33)