4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methyl-pentanoyl]amino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methyl-pentanoyl]amino]benzoic acid Openeye Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methyl-pentanoyl]amino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methyl-1-oxopentyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methylpentanoyl]amino]benzoic acid Traditional Name: 4-tert-butyl-3-[[3-(2,4-dimethoxyphenyl)-4-methyl-pentanoyl]amino]benzoic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C25H33NO5/c1-15(2)19(18-10-9-17(30-6)13-22(18)31-7)14-23(27)26-21-12-16(24(28)29)8-11-20(21)25(3,4)5/h8-13,15,19H,14H2,1-7H3,(H,26,27)(H,28,29)