4-[(2,6-dimethylphenyl)-(3,4,5-trimethoxyphenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[(2,6-dimethylphenyl)-(3,4,5-trimethoxyphenyl)carbonyl-amino]butanoic acid Openeye Name: 4-(2,6-dimethyl-N-(3,4,5-trimethoxybenzoyl)anilino)butanoic acid CAS Name: 4-(2,6-dimethyl-N-[oxo-(3,4,5-trimethoxyphenyl)methyl]anilino)butanoic acid IUPAC Name: 4-(2,6-dimethyl-N-(3,4,5-trimethoxybenzoyl)anilino)butanoic acid Traditional Name: 4-(2,6-dimethyl-N-(3,4,5-trimethoxybenzoyl)anilino)butyric acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCCC(=O)O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCCC(=O)O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H27NO6/c1-14-8-6-9-15(2)20(14)23(11-7-10-19(24)25)22(26)16-12-17(27-3)21(29-5)18(13-16)28-4/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,24,25)