tert-butyl N-[(2S)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C21H25ClN2O4/c1-21(2,3)28-20(26)24-17(12-14-8-6-5-7-9-14)19(25)23-16-13-15(22)10-11-18(16)27-4/h5-11,13,17H,12H2,1-4H3,(H,23,25)(H,24,26)/t17-/m0/s1