(3S)-2-(isocyanatomethyl)-3-phenyl-bicyclo[2.2.2]octane

Systemtic Name: (3S)-2-(isocyanatomethyl)-3-phenyl-bicyclo[2.2.2]octane Openeye Name: (3S)-2-(isocyanatomethyl)-3-phenyl-bicyclo[2.2.2]octane CAS Name: (3S)-2-(isocyanatomethyl)-3-phenylbicyclo[2.2.2]octane IUPAC Name: (3S)-2-(isocyanatomethyl)-3-phenylbicyclo[2.2.2]octane Traditional Name: (3S)-2-(isocyanatomethyl)-3-phenyl-bicyclo[2.2.2]octane Formula: C16H19NO MolecularWeight: 241.32816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(C2C3=CC=CC=C3)CN=C=O

Isomeric SMILES

C1CC2CCC1[C@@H](C2CN=C=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19NO/c18-11-17-10-15-12-6-8-14(9-7-12)16(15)13-4-2-1-3-5-13/h1-5,12,14-16H,6-10H2/t12?,14?,15?,16-/m0/s1