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

Systemtic Name: 4-[(4-methylphenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methylanilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: 4-(4-methylanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-methylanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: 4-keto-2-(3-morpholinopropylamino)-4-(p-toluidino)butyric acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-14-3-5-15(6-4-14)20-17(22)13-16(18(23)24)19-7-2-8-21-9-11-25-12-10-21/h3-6,16,19H,2,7-13H2,1H3,(H,20,22)(H,23,24)