[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-[4-(methylcarbamoyl)anilino]ethyl] ester Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC)OCC

InChI

InChI=1S/C22H25ClN2O6/c1-4-10-30-20-17(23)11-15(12-18(20)29-5-2)22(28)31-13-19(26)25-16-8-6-14(7-9-16)21(27)24-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,24,27)(H,25,26)