2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]benzoate

Systemtic Name: 2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]benzoate Openeye Name: 2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate CAS Name: 2-[[[3-[(2-carboxylatoanilino)-oxomethyl]-5-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]benzoate IUPAC Name: 2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate Traditional Name: 2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(pivaloylamino)benzoyl]amino]benzoate Formula: C27H23N3O7-2 MolecularWeight: 501.48742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)[O-])C(=O)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)[O-])C(=O)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C27H25N3O7/c1-27(2,3)26(37)28-17-13-15(22(31)29-20-10-6-4-8-18(20)24(33)34)12-16(14-17)23(32)30-21-11-7-5-9-19(21)25(35)36/h4-14H,1-3H3,(H,28,37)(H,29,31)(H,30,32)(H,33,34)(H,35,36)/p-2