methyl 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-morpholino-benzoate CAS Name: 3-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-4-morpholino-benzoic acid methyl ester Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C22H25ClN2O5/c1-14-10-17(11-15(2)21(14)23)30-13-20(26)24-18-12-16(22(27)28-3)4-5-19(18)25-6-8-29-9-7-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,26)