2-[[5-(2-azanylethanoyl)-7-(3-piperidin-4-ylpropanoyloxycarbonyl)-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]ethanoic acid

Systemtic Name: 2-[[5-(2-azanylethanoyl)-7-(3-piperidin-4-ylpropanoyloxycarbonyl)-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]ethanoic acid Openeye Name: 2-[[5-(2-aminoacetyl)-7-[3-(4-piperidyl)propanoyloxycarbonyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]acetic acid CAS Name: 2-[[5-(2-amino-1-oxoethyl)-7-[oxo-[1-oxo-3-(4-piperidinyl)propoxy]methyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]dioxy]acetic acid IUPAC Name: 2-[[5-(2-aminoacetyl)-7-(3-piperidin-4-ylpropanoyloxycarbonyl)-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]acetic acid Traditional Name: 2-[[5-glycyl-7-[3-(4-piperidyl)propanoyloxycarbonyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienyl]peroxy]acetic acid Formula: C20H24N2O8 MolecularWeight: 420.41316

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)OC(=O)C2(C3=CC=CC(=C32)C(=O)CN)OOCC(=O)O

Isomeric SMILES

C1CNCCC1CCC(=O)OC(=O)C2(C3=CC=CC(=C32)C(=O)CN)OOCC(=O)O

InChI

InChI=1S/C20H24N2O8/c21-10-15(23)13-2-1-3-14-18(13)20(14,30-28-11-16(24)25)19(27)29-17(26)5-4-12-6-8-22-9-7-12/h1-3,12,22H,4-11,21H2,(H,24,25)