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

Systemtic Name: 4-[(2,3-dimethylphenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,3-dimethylanilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: 4-(2,3-dimethylanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(2,3-dimethylanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: 4-(2,3-dimethylanilino)-4-keto-2-(3-morpholinopropylamino)butyric acid Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4/c1-14-5-3-6-16(15(14)2)21-18(23)13-17(19(24)25)20-7-4-8-22-9-11-26-12-10-22/h3,5-6,17,20H,4,7-13H2,1-2H3,(H,21,23)(H,24,25)