bis(2-cyanopentan-2-yl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

Systemtic Name: bis(2-cyanopentan-2-yl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Openeye Name: bis(1-cyano-1-methyl-butyl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate CAS Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis(2-cyanopentan-2-yl) ester IUPAC Name: bis(2-cyanopentan-2-yl) 3-(4-phenylphenyl)benzene-1,2-dicarboxylate Traditional Name: 3-(4-phenylphenyl)benzene-1,2-dicarboxylic acid bis(1-cyano-1-methyl-butyl) ester Formula: C32H32N2O4 MolecularWeight: 508.60748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C#N)OC(=O)C1=CC=CC(=C1C(=O)OC(C)(CCC)C#N)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(C)(C#N)OC(=O)C1=CC=CC(=C1C(=O)OC(C)(CCC)C#N)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C32H32N2O4/c1-5-19-31(3,21-33)37-29(35)27-14-10-13-26(28(27)30(36)38-32(4,22-34)20-6-2)25-17-15-24(16-18-25)23-11-8-7-9-12-23/h7-18H,5-6,19-20H2,1-4H3