3,5-bis[[4-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3,5-bis[[4-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 3,5-bis[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoic acid CAS Name: 3,5-bis[[[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoic acid Traditional Name: 3,5-bis[[4-(pivaloylamino)benzoyl]amino]benzoic acid Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C

InChI

InChI=1S/C31H34N4O6/c1-30(2,3)28(40)34-21-11-7-18(8-12-21)25(36)32-23-15-20(27(38)39)16-24(17-23)33-26(37)19-9-13-22(14-10-19)35-29(41)31(4,5)6/h7-17H,1-6H3,(H,32,36)(H,33,37)(H,34,40)(H,35,41)(H,38,39)