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

Systemtic Name: bis[(2R)-2-cyanobutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis[(2R)-2-cyanobutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2R)-2-cyanobutyl] ester IUPAC Name: bis[(2R)-2-cyanobutyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis[(2R)-2-cyanobutyl] ester Formula: C30H28N2O4 MolecularWeight: 480.55432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O4/c1-3-21(17-31)19-35-29(33)27-12-8-11-26(28(27)30(34)36-20-22(4-2)18-32)25-15-13-24(14-16-25)23-9-6-5-7-10-23/h5-16,21-22H,3-4,19-20H2,1-2H3/t21-,22-/m1/s1