2-[2-[[3,5-bis(ethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[[3,5-bis(ethoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[3,5-bis(ethoxycarbonyl)anilino]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[3,5-bis(ethoxycarbonyl)anilino]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[3,5-bis(ethoxycarbonyl)anilino]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-(3,5-dicarbethoxyanilino)-2-keto-ethyl]benzoic acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2C(=O)O)C(=O)OCC

InChI

InChI=1S/C21H21NO7/c1-3-28-20(26)14-9-15(21(27)29-4-2)11-16(10-14)22-18(23)12-13-7-5-6-8-17(13)19(24)25/h5-11H,3-4,12H2,1-2H3,(H,22,23)(H,24,25)