[4-(4,5-dicyano-1-methyl-imidazol-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-(4,5-dicyano-1-methyl-imidazol-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-(4,5-dicyano-1-methyl-imidazol-2-yl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-(4,5-dicyano-1-methyl-2-imidazolyl)phenyl] ester IUPAC Name: [4-(4,5-dicyano-1-methylimidazol-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-(4,5-dicyano-1-methyl-imidazol-2-yl)phenyl] ester Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC(=C(N3C)C#N)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC(=C(N3C)C#N)C#N

InChI

InChI=1S/C23H26N4O2/c1-3-4-5-16-6-8-18(9-7-16)23(28)29-19-12-10-17(11-13-19)22-26-20(14-24)21(15-25)27(22)2/h10-13,16,18H,3-9H2,1-2H3