tert-butyl (2S)-2-[(3-chloranyl-4-cyano-phenyl)-(cyclopropylmethyl)amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[(3-chloranyl-4-cyano-phenyl)-(cyclopropylmethyl)amino]propanoate Openeye Name: tert-butyl (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]propanoate CAS Name: (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]propanoate Traditional Name: (2S)-2-[3-chloro-4-cyano-N-(cyclopropylmethyl)anilino]propionic acid tert-butyl ester Formula: C18H23ClN2O2 MolecularWeight: 334.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)N(CC1CC1)C2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C[C@@H](C(=O)OC(C)(C)C)N(CC1CC1)C2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H23ClN2O2/c1-12(17(22)23-18(2,3)4)21(11-13-5-6-13)15-8-7-14(10-20)16(19)9-15/h7-9,12-13H,5-6,11H2,1-4H3/t12-/m0/s1