2-[[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1,2-dioxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[2-keto-2-(3,4,5-trimethoxyphenyl)acetyl]amino]-4-phenyl-butyric acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO7/c1-27-16-11-14(12-17(28-2)19(16)29-3)18(23)20(24)22-15(21(25)26)10-9-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,24)(H,25,26)