4-[(2S)-2-(3-chlorophenyl)-2-isocyanato-ethyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(2S)-2-(3-chlorophenyl)-2-isocyanato-ethyl]-N,N-dimethyl-aniline Openeye Name: 4-[(2S)-2-(3-chlorophenyl)-2-isocyanato-ethyl]-N,N-dimethyl-aniline CAS Name: 4-[(2S)-2-(3-chlorophenyl)-2-isocyanatoethyl]-N,N-dimethylaniline IUPAC Name: 4-[(2S)-2-(3-chlorophenyl)-2-isocyanatoethyl]-N,N-dimethylaniline Traditional Name: [4-[(2S)-2-(3-chlorophenyl)-2-isocyanato-ethyl]phenyl]-dimethyl-amine Formula: C17H17ClN2O MolecularWeight: 300.78268

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC(C2=CC(=CC=C2)Cl)N=C=O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[C@@H](C2=CC(=CC=C2)Cl)N=C=O

InChI

InChI=1S/C17H17ClN2O/c1-20(2)16-8-6-13(7-9-16)10-17(19-12-21)14-4-3-5-15(18)11-14/h3-9,11,17H,10H2,1-2H3/t17-/m0/s1