isocyanato-(1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptan-4-yl)methanone

Systemtic Name: isocyanato-(1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptan-4-yl)methanone Openeye Name: 6-benzyloxy-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptane-4-carbonyl isocyanate CAS Name: isocyanato-(1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptan-4-yl)methanone IUPAC Name: 1,3,3-trimethyl-6-phenylmethoxy-2-oxabicyclo[2.2.1]heptane-4-carbonyl isocyanate Traditional Name: (6-benzoxy-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptan-4-yl)-isocyanato-methanone Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CC(C(C2)(O1)C)OCC3=CC=CC=C3)C(=O)N=C=O)C

Isomeric SMILES

CC1(C2(CC(C(C2)(O1)C)OCC3=CC=CC=C3)C(=O)N=C=O)C

InChI

InChI=1S/C18H21NO4/c1-16(2)18(15(21)19-12-20)9-14(17(3,11-18)23-16)22-10-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3