[4-(2,3-dicyano-4-pentoxy-phenoxy)carbonylphenyl]methyl oxirane-2-carboxylate

Systemtic Name: [4-(2,3-dicyano-4-pentoxy-phenoxy)carbonylphenyl]methyl oxirane-2-carboxylate Openeye Name: [4-(2,3-dicyano-4-pentoxy-phenoxy)carbonylphenyl]methyl oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid [4-[(2,3-dicyano-4-pentoxyphenoxy)-oxomethyl]phenyl]methyl ester IUPAC Name: [4-(2,3-dicyano-4-pentoxyphenoxy)carbonylphenyl]methyl oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid [4-(4-amoxy-2,3-dicyano-phenoxy)carbonylbenzyl] ester Formula: C24H22N2O6 MolecularWeight: 434.44128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)COC(=O)C3CO3)C#N)C#N

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)COC(=O)C3CO3)C#N)C#N

InChI

InChI=1S/C24H22N2O6/c1-2-3-4-11-29-20-9-10-21(19(13-26)18(20)12-25)32-23(27)17-7-5-16(6-8-17)14-31-24(28)22-15-30-22/h5-10,22H,2-4,11,14-15H2,1H3