O2-(4-cyanophenyl) O1-(4-methylpentyl) benzene-1,2-dicarboxylate

Systemtic Name: O2-(4-cyanophenyl) O1-(4-methylpentyl) benzene-1,2-dicarboxylate Openeye Name: O2-(4-cyanophenyl) O1-isohexyl benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O2-(4-cyanophenyl) ester O1-(4-methylpentyl) ester IUPAC Name: 2-O-(4-cyanophenyl) 1-O-(4-methylpentyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-(4-cyanophenyl) ester O1-isohexyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO4/c1-15(2)6-5-13-25-20(23)18-7-3-4-8-19(18)21(24)26-17-11-9-16(14-22)10-12-17/h3-4,7-12,15H,5-6,13H2,1-2H3