2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoic acid

Systemtic Name: 2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoic acid Openeye Name: 2-(3-morpholinopropylamino)-4-oxo-4-(2,4,6-trimethylanilino)butanoic acid CAS Name: 2-[3-(4-morpholinyl)propylamino]-4-oxo-4-(2,4,6-trimethylanilino)butanoic acid IUPAC Name: 2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(2,4,6-trimethylanilino)butanoic acid Traditional Name: 4-keto-4-mesidino-2-(3-morpholinopropylamino)butyric acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CC(C(=O)O)NCCCN2CCOCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CC(C(=O)O)NCCCN2CCOCC2)C

InChI

InChI=1S/C20H31N3O4/c1-14-11-15(2)19(16(3)12-14)22-18(24)13-17(20(25)26)21-5-4-6-23-7-9-27-10-8-23/h11-12,17,21H,4-10,13H2,1-3H3,(H,22,24)(H,25,26)