[(1R,4S)-7,7-dimethyl-3-phenyl-4-bicyclo[2.2.1]hept-2-enyl]-isocyanato-methanone

Systemtic Name: [(1R,4S)-7,7-dimethyl-3-phenyl-4-bicyclo[2.2.1]hept-2-enyl]-isocyanato-methanone Openeye Name: (1R,4S)-7,7-dimethyl-3-phenyl-bicyclo[2.2.1]hept-2-ene-4-carbonyl isocyanate CAS Name: [(1R,4S)-7,7-dimethyl-3-phenyl-4-bicyclo[2.2.1]hept-2-enyl]-isocyanatomethanone IUPAC Name: (1R,4S)-7,7-dimethyl-3-phenylbicyclo[2.2.1]hept-2-ene-4-carbonyl isocyanate Traditional Name: [(1R,4S)-7,7-dimethyl-3-phenyl-4-bicyclo[2.2.1]hept-2-enyl]-isocyanato-methanone Formula: C17H17NO2 MolecularWeight: 267.32238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=C2)C3=CC=CC=C3)C(=O)N=C=O)C

Isomeric SMILES

CC1([C@@H]2CC[C@]1(C(=C2)C3=CC=CC=C3)C(=O)N=C=O)C

InChI

InChI=1S/C17H17NO2/c1-16(2)13-8-9-17(16,15(20)18-11-19)14(10-13)12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t13-,17+/m1/s1