2-[[3-(tert-butylcarbamoyl)-5-[(2-carboxyphenyl)carbamoyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-(tert-butylcarbamoyl)-5-[(2-carboxyphenyl)carbamoyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-(tert-butylcarbamoyl)-5-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-[(tert-butylamino)-oxomethyl]-5-[(2-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-(tert-butylcarbamoyl)-5-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-(tert-butylcarbamoyl)-5-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid Formula: C27H25N3O7 MolecularWeight: 503.5033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=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)30-24(33)17-13-15(22(31)28-20-10-6-4-8-18(20)25(34)35)12-16(14-17)23(32)29-21-11-7-5-9-19(21)26(36)37/h4-14H,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)(H,36,37)