(4-butoxy-3-cyano-2-isocyano-phenyl) 4-(4-pentylcyclohexyl)benzoate

Systemtic Name: (4-butoxy-3-cyano-2-isocyano-phenyl) 4-(4-pentylcyclohexyl)benzoate Openeye Name: (4-butoxy-3-cyano-2-isocyano-phenyl) 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid (4-butoxy-3-cyano-2-isocyanophenyl) ester IUPAC Name: (4-butoxy-3-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid (4-butoxy-3-cyano-2-isocyano-phenyl) ester Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCC)C#N)[N+]#[C-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCC)C#N)[N+]#[C-]

InChI

InChI=1S/C30H36N2O3/c1-4-6-8-9-22-10-12-23(13-11-22)24-14-16-25(17-15-24)30(33)35-28-19-18-27(34-20-7-5-2)26(21-31)29(28)32-3/h14-19,22-23H,4-13,20H2,1-2H3