[(2R,3R)-3-[(1S)-1-isocyanatoethyl]pent-4-yn-2-yl]oxymethylbenzene

Systemtic Name: [(2R,3R)-3-[(1S)-1-isocyanatoethyl]pent-4-yn-2-yl]oxymethylbenzene Openeye Name: [(1R,2R)-2-[(1S)-1-isocyanatoethyl]-1-methyl-but-3-ynoxy]methylbenzene CAS Name: [(2R,3R)-3-[(1S)-1-isocyanatoethyl]pent-4-yn-2-yl]oxymethylbenzene IUPAC Name: [(2R,3R)-3-[(1S)-1-isocyanatoethyl]pent-4-yn-2-yl]oxymethylbenzene Traditional Name: [(1R,2R)-2-[(1S)-1-isocyanatoethyl]-1-methyl-but-3-ynoxy]methylbenzene Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C#C)C(C)OCC1=CC=CC=C1)N=C=O

Isomeric SMILES

C[C@@H]([C@@H](C#C)[C@@H](C)OCC1=CC=CC=C1)N=C=O

InChI

InChI=1S/C15H17NO2/c1-4-15(12(2)16-11-17)13(3)18-10-14-8-6-5-7-9-14/h1,5-9,12-13,15H,10H2,2-3H3/t12-,13+,15+/m0/s1