1-[(2S)-2-(4-fluorophenyl)-2-isocyanato-ethyl]-2,4-dimethoxy-benzene

Systemtic Name: 1-[(2S)-2-(4-fluorophenyl)-2-isocyanato-ethyl]-2,4-dimethoxy-benzene Openeye Name: 1-[(2S)-2-(4-fluorophenyl)-2-isocyanato-ethyl]-2,4-dimethoxy-benzene CAS Name: 1-[(2S)-2-(4-fluorophenyl)-2-isocyanatoethyl]-2,4-dimethoxybenzene IUPAC Name: 1-[(2S)-2-(4-fluorophenyl)-2-isocyanatoethyl]-2,4-dimethoxybenzene Traditional Name: 1-[(2S)-2-(4-fluorophenyl)-2-isocyanato-ethyl]-2,4-dimethoxy-benzene Formula: C17H16FNO3 MolecularWeight: 301.312243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC(C2=CC=C(C=C2)F)N=C=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[C@@H](C2=CC=C(C=C2)F)N=C=O)OC

InChI

InChI=1S/C17H16FNO3/c1-21-15-8-5-13(17(10-15)22-2)9-16(19-11-20)12-3-6-14(18)7-4-12/h3-8,10,16H,9H2,1-2H3/t16-/m0/s1