4-(4-cyanobutoxy)-2-methoxy-5-oxidanylidene-2-phenyl-oct-7-enoic acid

Systemtic Name: 4-(4-cyanobutoxy)-2-methoxy-5-oxidanylidene-2-phenyl-oct-7-enoic acid Openeye Name: 4-(4-cyanobutoxy)-2-methoxy-5-oxo-2-phenyl-oct-7-enoic acid CAS Name: 4-(4-cyanobutoxy)-2-methoxy-5-oxo-2-phenyl-7-octenoic acid IUPAC Name: 4-(4-cyanobutoxy)-2-methoxy-5-oxo-2-phenyloct-7-enoic acid Traditional Name: 4-(4-cyanobutoxy)-5-keto-2-methoxy-2-phenyl-oct-7-enoic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC(C(=O)CC=C)OCCCCC#N)(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

COC(CC(C(=O)CC=C)OCCCCC#N)(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C20H25NO5/c1-3-10-17(22)18(26-14-9-5-8-13-21)15-20(25-2,19(23)24)16-11-6-4-7-12-16/h3-4,6-7,11-12,18H,1,5,8-10,14-15H2,2H3,(H,23,24)