(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(2-morpholin-4-ylethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-2-(2-morpholin-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-2-(2-morpholinoethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-2-[2-(4-morpholinyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-2-(2-morpholin-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloro-4-methyl-anilino)-4-keto-2-(2-morpholinoethylammonio)butyrate Formula: C17H24ClN3O4 MolecularWeight: 369.84316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCN2CCOCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCN2CCOCC2)Cl

InChI

InChI=1S/C17H24ClN3O4/c1-12-2-3-13(10-14(12)18)20-16(22)11-15(17(23)24)19-4-5-21-6-8-25-9-7-21/h2-3,10,15,19H,4-9,11H2,1H3,(H,20,22)(H,23,24)/t15-/m1/s1