4-[(2,6-dimethoxyphenyl)amino]-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,6-dimethoxyphenyl)amino]-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,6-dimethoxyanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxo-butanoic acid CAS Name: 4-(2,6-dimethoxyanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2,6-dimethoxyanilino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2,6-dimethoxyanilino)-3-(3,5-dimethylbenzyl)-4-keto-butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(CC(=O)O)C(=O)NC2=C(C=CC=C2OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(CC(=O)O)C(=O)NC2=C(C=CC=C2OC)OC)C

InChI

InChI=1S/C21H25NO5/c1-13-8-14(2)10-15(9-13)11-16(12-19(23)24)21(25)22-20-17(26-3)6-5-7-18(20)27-4/h5-10,16H,11-12H2,1-4H3,(H,22,25)(H,23,24)