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

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O6/c1-4-5-10-19-35-24-17-18-25(28(32-3)27(24)31-2)38-29(33)23-15-13-22(14-16-23)12-9-7-6-8-11-20-36-30(34)26-21-37-26/h13-18,26H,4-12,19-21H2,1H3