2-[[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-(phenylcarbonyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-(phenylcarbonyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[benzoyl-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[benzoyl-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[benzoyl-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[benzoyl-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-14(2)20(22(26)27)23(21(25)15-8-6-5-7-9-15)13-17(24)16-10-11-18(28-3)19(12-16)29-4/h5-12,14,20H,13H2,1-4H3,(H,26,27)