2-[(2S)-2-(3,4-dimethoxyphenyl)-2-isocyanato-ethyl]pyridine

Systemtic Name: 2-[(2S)-2-(3,4-dimethoxyphenyl)-2-isocyanato-ethyl]pyridine Openeye Name: 2-[(2S)-2-(3,4-dimethoxyphenyl)-2-isocyanato-ethyl]pyridine CAS Name: 2-[(2S)-2-(3,4-dimethoxyphenyl)-2-isocyanatoethyl]pyridine IUPAC Name: 2-[(2S)-2-(3,4-dimethoxyphenyl)-2-isocyanatoethyl]pyridine Traditional Name: 2-[(2S)-2-(3,4-dimethoxyphenyl)-2-isocyanato-ethyl]pyridine Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=CC=N2)N=C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC2=CC=CC=N2)N=C=O)OC

InChI

InChI=1S/C16H16N2O3/c1-20-15-7-6-12(9-16(15)21-2)14(18-11-19)10-13-5-3-4-8-17-13/h3-9,14H,10H2,1-2H3/t14-/m0/s1