dibutyl (1R,2R)-1,2-dicyano-3-(4-methoxyphenyl)cyclobutane-1,2-dicarboxylate

Systemtic Name: dibutyl (1R,2R)-1,2-dicyano-3-(4-methoxyphenyl)cyclobutane-1,2-dicarboxylate Openeye Name: dibutyl (1R,2R)-1,2-dicyano-3-(4-methoxyphenyl)cyclobutane-1,2-dicarboxylate CAS Name: (1R,2R)-1,2-dicyano-3-(4-methoxyphenyl)cyclobutane-1,2-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl (1R,2R)-1,2-dicyano-3-(4-methoxyphenyl)cyclobutane-1,2-dicarboxylate Traditional Name: (1R,2R)-1,2-dicyano-3-(4-methoxyphenyl)cyclobutane-1,2-dicarboxylic acid dibutyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CC(C1(C#N)C(=O)OCCCC)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCCCOC(=O)[C@@]1(CC([C@@]1(C#N)C(=O)OCCCC)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C23H28N2O5/c1-4-6-12-29-20(26)22(15-24)14-19(17-8-10-18(28-3)11-9-17)23(22,16-25)21(27)30-13-7-5-2/h8-11,19H,4-7,12-14H2,1-3H3/t19?,22-,23+/m1/s1