4-[(4-chlorophenyl)amino]-2-(2-morpholin-4-ylethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-(2-morpholin-4-ylethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chloroanilino)-2-(2-morpholinoethylamino)-4-oxo-butanoic acid CAS Name: 4-(4-chloroanilino)-2-[2-(4-morpholinyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-chloroanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid Traditional Name: 4-(4-chloroanilino)-4-keto-2-(2-morpholinoethylamino)butyric acid Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1COCCN1CCNC(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H22ClN3O4/c17-12-1-3-13(4-2-12)19-15(21)11-14(16(22)23)18-5-6-20-7-9-24-10-8-20/h1-4,14,18H,5-11H2,(H,19,21)(H,22,23)