4-[2-[ethyl-(2,4,5-trimethylphenyl)carbonyl-amino]phenyl]butanoic acid

Systemtic Name: 4-[2-[ethyl-(2,4,5-trimethylphenyl)carbonyl-amino]phenyl]butanoic acid Openeye Name: 4-[2-[ethyl-(2,4,5-trimethylbenzoyl)amino]phenyl]butanoic acid CAS Name: 4-[2-[ethyl-[oxo-(2,4,5-trimethylphenyl)methyl]amino]phenyl]butanoic acid IUPAC Name: 4-[2-[ethyl-(2,4,5-trimethylbenzoyl)amino]phenyl]butanoic acid Traditional Name: 4-[2-[ethyl-(2,4,5-trimethylbenzoyl)amino]phenyl]butyric acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1CCCC(=O)O)C(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1CCCC(=O)O)C(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C22H27NO3/c1-5-23(22(26)19-14-16(3)15(2)13-17(19)4)20-11-7-6-9-18(20)10-8-12-21(24)25/h6-7,9,11,13-14H,5,8,10,12H2,1-4H3,(H,24,25)