3-ethoxycarbonyl-7-methoxy-8-oxidanylidene-7-(2-phenoxyethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-7-methoxy-8-oxidanylidene-7-(2-phenoxyethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-ethoxycarbonyl-7-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethoxycarbonyl-7-methoxy-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-7-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-carbethoxy-8-keto-7-methoxy-7-[(2-phenoxyacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N2C(CC1)C(C2=O)(NC(=O)COC3=CC=CC=C3)OC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N2C(CC1)C(C2=O)(NC(=O)COC3=CC=CC=C3)OC)C(=O)O

InChI

InChI=1S/C20H22N2O8/c1-3-29-18(26)13-9-10-14-20(28-2,19(27)22(14)16(13)17(24)25)21-15(23)11-30-12-7-5-4-6-8-12/h4-8,14H,3,9-11H2,1-2H3,(H,21,23)(H,24,25)