4-[(3-chlorophenyl)amino]-2-[3-(dimethylamino)propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chlorophenyl)amino]-2-[3-(dimethylamino)propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloroanilino)-2-[3-(dimethylamino)propylamino]-4-oxo-butanoic acid CAS Name: 4-(3-chloroanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(3-chloroanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid Traditional Name: 4-(3-chloroanilino)-2-[3-(dimethylamino)propylamino]-4-keto-butyric acid Formula: C15H22ClN3O3 MolecularWeight: 327.80648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)O

Isomeric SMILES

CN(C)CCCNC(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)O

InChI

InChI=1S/C15H22ClN3O3/c1-19(2)8-4-7-17-13(15(21)22)10-14(20)18-12-6-3-5-11(16)9-12/h3,5-6,9,13,17H,4,7-8,10H2,1-2H3,(H,18,20)(H,21,22)