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

Systemtic Name: (3S)-2-(2-isocyanatoethyl)-3-phenyl-bicyclo[2.2.2]octane Openeye Name: (3S)-2-(2-isocyanatoethyl)-3-phenyl-bicyclo[2.2.2]octane CAS Name: (3S)-2-(2-isocyanatoethyl)-3-phenylbicyclo[2.2.2]octane IUPAC Name: (3S)-2-(2-isocyanatoethyl)-3-phenylbicyclo[2.2.2]octane Traditional Name: (3S)-2-(2-isocyanatoethyl)-3-phenyl-bicyclo[2.2.2]octane Formula: C17H21NO MolecularWeight: 255.35474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC2CCC1[C@@H](C2CCN=C=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO/c19-12-18-11-10-16-13-6-8-15(9-7-13)17(16)14-4-2-1-3-5-14/h1-5,13,15-17H,6-11H2/t13?,15?,16?,17-/m0/s1