bis[(2R)-2-cyanohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

Systemtic Name: bis[(2R)-2-cyanohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(2R)-2-cyanohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2R)-2-cyanohexyl] ester IUPAC Name: bis[(2R)-2-cyanohexyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2R)-2-cyanohexyl] ester Formula: C34H36N2O4 MolecularWeight: 536.66064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COC(=O)C1=CC=CC(=C1C(=O)OCC(CCCC)C#N)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCC[C@@H](COC(=O)C1=CC=CC(=C1C(=O)OC[C@H](CCCC)C#N)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C34H36N2O4/c1-3-5-11-25(21-35)23-39-33(37)31-16-10-15-30(32(31)34(38)40-24-26(22-36)12-6-4-2)29-19-17-28(18-20-29)27-13-8-7-9-14-27/h7-10,13-20,25-26H,3-6,11-12,23-24H2,1-2H3/t25-,26-/m1/s1