4-[(3-chlorophenyl)amino]-2-(2-morpholin-4-ylethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chlorophenyl)amino]-2-(2-morpholin-4-ylethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloroanilino)-2-(2-morpholinoethylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloroanilino)-2-[2-(4-morpholinyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(3-chloroanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloroanilino)-4-keto-2-(2-morpholinoethylamino)butyric acid Formula: C16H22ClN3O4 MolecularWeight: 355.81658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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