(2-methyl-5-propan-2-yl-cyclohexyl) (9E)-9-[cyano(isocyano)methylidene]fluorene-4-carboxylate

Systemtic Name: (2-methyl-5-propan-2-yl-cyclohexyl) (9E)-9-[cyano(isocyano)methylidene]fluorene-4-carboxylate Openeye Name: (5-isopropyl-2-methyl-cyclohexyl) (9E)-9-[cyano(isocyano)methylene]fluorene-4-carboxylate CAS Name: (9E)-9-[cyano(isocyano)methylidene]-4-fluorenecarboxylic acid (2-methyl-5-propan-2-ylcyclohexyl) ester IUPAC Name: (2-methyl-5-propan-2-ylcyclohexyl) (9E)-9-[cyano(isocyano)methylidene]fluorene-4-carboxylate Traditional Name: (9E)-9-[cyano(isocyano)methylene]fluorene-4-carboxylic acid (5-isopropyl-2-methyl-cyclohexyl) ester Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)C2=CC=CC3=C2C4=CC=CC=C4C3=C(C#N)[N+]#[C-])C(C)C

Isomeric SMILES

CC1CCC(CC1OC(=O)C2=CC=CC\3=C2C4=CC=CC=C4/C3=C(/C#N)\[N+]#[C-])C(C)C

InChI

InChI=1S/C27H26N2O2/c1-16(2)18-13-12-17(3)24(14-18)31-27(30)22-11-7-10-21-25(22)19-8-5-6-9-20(19)26(21)23(15-28)29-4/h5-11,16-18,24H,12-14H2,1-3H3/b26-23+