1,3-dicyano-2,4-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 1,3-dicyano-2,4-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid Openeye Name: 1,3-dicyano-2,4-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid CAS Name: 1,3-dicyano-2,4-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid IUPAC Name: 1,3-dicyano-2,4-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid Traditional Name: 1,3-dicyano-2,4-bis(2-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(C(C2(C#N)C(=O)O)C3=CC=CC=C3OC)(C#N)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2C(C(C2(C#N)C(=O)O)C3=CC=CC=C3OC)(C#N)C(=O)O

InChI

InChI=1S/C22H18N2O6/c1-29-15-9-5-3-7-13(15)17-21(11-23,19(25)26)18(22(17,12-24)20(27)28)14-8-4-6-10-16(14)30-2/h3-10,17-18H,1-2H3,(H,25,26)(H,27,28)