7-[4-(3-cyano-2-isocyano-4-pentoxy-phenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate

Systemtic Name: 7-[4-(3-cyano-2-isocyano-4-pentoxy-phenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate Openeye Name: 7-[4-(3-cyano-2-isocyano-4-pentoxy-phenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid 7-[4-[(3-cyano-2-isocyano-4-pentoxyphenoxy)-oxomethyl]phenyl]heptyl ester IUPAC Name: 7-[4-(3-cyano-2-isocyano-4-pentoxyphenoxy)carbonylphenyl]heptyl oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid 7-[4-(4-amoxy-3-cyano-2-isocyano-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)[N+]#[C-])C#N

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCCCCOC(=O)C3CO3)[N+]#[C-])C#N

InChI

InChI=1S/C30H34N2O6/c1-3-4-9-18-35-25-16-17-26(28(32-2)24(25)20-31)38-29(33)23-14-12-22(13-15-23)11-8-6-5-7-10-19-36-30(34)27-21-37-27/h12-17,27H,3-11,18-19,21H2,1H3