6-cyclopentyl-6-[2-[3-(2-isocyanopropan-2-yl)phenyl]ethyl]oxane-2,4-dione

Systemtic Name: 6-cyclopentyl-6-[2-[3-(2-isocyanopropan-2-yl)phenyl]ethyl]oxane-2,4-dione Openeye Name: 6-cyclopentyl-6-[2-[3-(1-isocyano-1-methyl-ethyl)phenyl]ethyl]tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-6-[2-[3-(2-isocyanopropan-2-yl)phenyl]ethyl]oxane-2,4-dione IUPAC Name: 6-cyclopentyl-6-[2-[3-(2-isocyanopropan-2-yl)phenyl]ethyl]oxane-2,4-dione Traditional Name: 6-cyclopentyl-6-[2-[3-(1-isocyano-1-methyl-ethyl)phenyl]ethyl]tetrahydropyran-2,4-quinone Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1)CCC2(CC(=O)CC(=O)O2)C3CCCC3)[N+]#[C-]

Isomeric SMILES

CC(C)(C1=CC=CC(=C1)CCC2(CC(=O)CC(=O)O2)C3CCCC3)[N+]#[C-]

InChI

InChI=1S/C22H27NO3/c1-21(2,23-3)18-10-6-7-16(13-18)11-12-22(17-8-4-5-9-17)15-19(24)14-20(25)26-22/h6-7,10,13,17H,4-5,8-9,11-12,14-15H2,1-2H3