2-[[7-cyclohexyloxycarbonyl-5-[2-(methylamino)-3-oxidanylidene-prop-2-enoyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]ethanoic acid

Systemtic Name: 2-[[7-cyclohexyloxycarbonyl-5-[2-(methylamino)-3-oxidanylidene-prop-2-enoyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]ethanoic acid Openeye Name: 2-[[7-(cyclohexoxycarbonyl)-5-[2-(methylamino)-3-oxo-prop-2-enoyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]acetic acid CAS Name: 2-[[7-[cyclohexyloxy(oxo)methyl]-5-[2-(methylamino)-1,3-dioxoprop-2-enyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]dioxy]acetic acid IUPAC Name: 2-[[7-cyclohexyloxycarbonyl-5-[2-(methylamino)-3-oxoprop-2-enoyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]acetic acid Traditional Name: 2-[[7-(cyclohexoxycarbonyl)-5-[3-keto-2-(methylamino)acryloyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]acetic acid Formula: C20H21NO8 MolecularWeight: 403.38264

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C=O)C(=O)C1=C2C(=CC=C1)C2(C(=O)OC3CCCCC3)OOCC(=O)O

Isomeric SMILES

CNC(=C=O)C(=O)C1=C2C(=CC=C1)C2(C(=O)OC3CCCCC3)OOCC(=O)O

InChI

InChI=1S/C20H21NO8/c1-21-15(10-22)18(25)13-8-5-9-14-17(13)20(14,29-27-11-16(23)24)19(26)28-12-6-3-2-4-7-12/h5,8-9,12,21H,2-4,6-7,11H2,1H3,(H,23,24)