[4-[[(1S)-2-azanylidene-1,2-dicyano-ethyl]iminomethyl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[[(1S)-2-azanylidene-1,2-dicyano-ethyl]iminomethyl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[[(1S)-1,2-dicyano-2-imino-ethyl]iminomethyl]phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[[(1S)-1,2-dicyano-2-iminoethyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[(1S)-1,2-dicyano-2-iminoethyl]iminomethyl]phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[[(1S)-1,2-dicyano-2-imino-ethyl]iminomethyl]phenyl] ester Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C=N[C@H](C#N)C(=N)C#N

InChI

InChI=1S/C22H26N4O2/c1-2-3-4-16-5-9-18(10-6-16)22(27)28-19-11-7-17(8-12-19)15-26-21(14-24)20(25)13-23/h7-8,11-12,15-16,18,21,25H,2-6,9-10H2,1H3/t16?,18?,21-/m1/s1