[(E)-3-phenylprop-2-enyl] (1R,2S)-2-isocyanato-4-methylidene-cyclopentane-1-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] (1R,2S)-2-isocyanato-4-methylidene-cyclopentane-1-carboxylate Openeye Name: [(E)-cinnamyl] (1R,2S)-2-isocyanato-4-methylene-cyclopentanecarboxylate CAS Name: (1R,2S)-2-isocyanato-4-methylene-1-cyclopentanecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (1R,2S)-2-isocyanato-4-methylidenecyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-isocyanato-4-methylene-cyclopentanecarboxylic acid [(E)-cinnamyl] ester Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CC(C(C1)N=C=O)C(=O)OCC=CC2=CC=CC=C2

Isomeric SMILES

C=C1C[C@H]([C@H](C1)N=C=O)C(=O)OC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H17NO3/c1-13-10-15(16(11-13)18-12-19)17(20)21-9-5-8-14-6-3-2-4-7-14/h2-8,15-16H,1,9-11H2/b8-5+/t15-,16+/m1/s1