3-[[5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoyl]amino]benzoic acid

Systemtic Name: 3-[[5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoyl]amino]benzoic acid Openeye Name: 3-[[5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoyl]amino]benzoic acid CAS Name: 3-[[5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-oxopentyl]amino]benzoic acid IUPAC Name: 3-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]benzoic acid Traditional Name: 3-[[5-(2,5-dimethylphenoxy)-2,2-dimethyl-pentanoyl]amino]benzoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H27NO4/c1-15-9-10-16(2)19(13-15)27-12-6-11-22(3,4)21(26)23-18-8-5-7-17(14-18)20(24)25/h5,7-10,13-14H,6,11-12H2,1-4H3,(H,23,26)(H,24,25)