[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3)OC

InChI

InChI=1S/C22H25ClN2O6/c1-3-30-21-18(23)12-15(13-19(21)28-2)22(27)31-14-20(26)24-16-4-6-17(7-5-16)25-8-10-29-11-9-25/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,24,26)