1-chloranyl-3-[(1S)-2-(4-ethoxyphenyl)-1-isocyanato-ethyl]benzene

Systemtic Name: 1-chloranyl-3-[(1S)-2-(4-ethoxyphenyl)-1-isocyanato-ethyl]benzene Openeye Name: 1-chloro-3-[(1S)-2-(4-ethoxyphenyl)-1-isocyanato-ethyl]benzene CAS Name: 1-chloro-3-[(1S)-2-(4-ethoxyphenyl)-1-isocyanatoethyl]benzene IUPAC Name: 1-chloro-3-[(1S)-2-(4-ethoxyphenyl)-1-isocyanatoethyl]benzene Traditional Name: 1-chloro-3-[(1S)-1-isocyanato-2-p-phenetyl-ethyl]benzene Formula: C17H16ClNO2 MolecularWeight: 301.76744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C2=CC(=CC=C2)Cl)N=C=O

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@@H](C2=CC(=CC=C2)Cl)N=C=O

InChI

InChI=1S/C17H16ClNO2/c1-2-21-16-8-6-13(7-9-16)10-17(19-12-20)14-4-3-5-15(18)11-14/h3-9,11,17H,2,10H2,1H3/t17-/m0/s1