5-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[(4-tert-butylbenzoyl)amino]anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-[(4-tert-butylbenzoyl)amino]anilino]-5-oxopentanoic acid Traditional Name: 5-[3-[(4-tert-butylbenzoyl)amino]anilino]-5-keto-valeric acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C22H26N2O4/c1-22(2,3)16-12-10-15(11-13-16)21(28)24-18-7-4-6-17(14-18)23-19(25)8-5-9-20(26)27/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)