methyl (3S)-3-(tert-butylamino)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-3-(tert-butylamino)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-3-(tert-butylamino)-4-(5-chloro-2-methoxy-anilino)-4-oxo-butanoate CAS Name: (3S)-3-(tert-butylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-(tert-butylamino)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoate Traditional Name: (3S)-3-(tert-butylamino)-4-(5-chloro-2-methoxy-anilino)-4-keto-butyric acid methyl ester Formula: C16H23ClN2O4 MolecularWeight: 342.81782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(CC(=O)OC)C(=O)NC1=C(C=CC(=C1)Cl)OC

Isomeric SMILES

CC(C)(C)N[C@@H](CC(=O)OC)C(=O)NC1=C(C=CC(=C1)Cl)OC

InChI

InChI=1S/C16H23ClN2O4/c1-16(2,3)19-12(9-14(20)23-5)15(21)18-11-8-10(17)6-7-13(11)22-4/h6-8,12,19H,9H2,1-5H3,(H,18,21)/t12-/m0/s1