[3-cyano-4-(4-cyano-4-heptyl-cyclohexyl)carbonyloxy-2-isocyano-phenyl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [3-cyano-4-(4-cyano-4-heptyl-cyclohexyl)carbonyloxy-2-isocyano-phenyl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate Openeye Name: [3-cyano-4-(4-cyano-4-heptyl-cyclohexanecarbonyl)oxy-2-isocyano-phenyl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxylic acid [3-cyano-4-[(4-cyano-4-heptylcyclohexyl)-oxomethoxy]-2-isocyanophenyl] ester IUPAC Name: [3-cyano-4-(4-cyano-4-heptylcyclohexanecarbonyl)oxy-2-isocyanophenyl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid [3-cyano-4-(4-cyano-4-heptyl-cyclohexanecarbonyl)oxy-2-isocyano-phenyl] ester Formula: C36H45N3O4 MolecularWeight: 583.7602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=C(C(=C(C=C2)OC(=O)C3CCC(=CC3)CCC=C(C)C)[N+]#[C-])C#N)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=C(C(=C(C=C2)OC(=O)C3CCC(=CC3)CCC=C(C)C)[N+]#[C-])C#N)C#N

InChI

InChI=1S/C36H45N3O4/c1-5-6-7-8-9-21-36(25-38)22-19-29(20-23-36)35(41)42-31-17-18-32(33(39-4)30(31)24-37)43-34(40)28-15-13-27(14-16-28)12-10-11-26(2)3/h11,13,17-18,28-29H,5-10,12,14-16,19-23H2,1-3H3