bis[(2S)-2-cyano-4-methyl-pentyl] 3-(4-phenylphenyl)benzene-1,2-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H36N2O4/c1-23(2)17-25(19-35)21-39-33(37)31-12-8-11-30(32(31)34(38)40-22-26(20-36)18-24(3)4)29-15-13-28(14-16-29)27-9-6-5-7-10-27/h5-16,23-26H,17-18,21-22H2,1-4H3/t25-,26-/m0/s1