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

Systemtic Name: 4-[(3-chlorophenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloroanilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloroanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(3-chloroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloroanilino)-4-keto-2-(3-morpholinopropylamino)butyric acid Formula: C17H24ClN3O4 MolecularWeight: 369.84316

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C17H24ClN3O4/c18-13-3-1-4-14(11-13)20-16(22)12-15(17(23)24)19-5-2-6-21-7-9-25-10-8-21/h1,3-4,11,15,19H,2,5-10,12H2,(H,20,22)(H,23,24)