7-[4-(2,3-dicyano-4-pentoxy-phenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate

Systemtic Name: 7-[4-(2,3-dicyano-4-pentoxy-phenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate Openeye Name: 7-[4-(2,3-dicyano-4-pentoxy-phenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid 7-[4-[(2,3-dicyano-4-pentoxyphenoxy)-oxomethyl]phenyl]heptyl ester IUPAC Name: 7-[4-(2,3-dicyano-4-pentoxyphenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid 7-[4-(4-amoxy-2,3-dicyano-phenoxy)carbonylphenyl]heptyl ester Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O6/c1-2-3-8-17-35-26-15-16-27(25(20-32)24(26)19-31)38-29(33)23-13-11-22(12-14-23)10-7-5-4-6-9-18-36-30(34)28-21-37-28/h11-16,28H,2-10,17-18,21H2,1H3