3-[(4-methoxycarbonylphenyl)methyl]-2-oxidanylidene-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid

Systemtic Name: 3-[(4-methoxycarbonylphenyl)methyl]-2-oxidanylidene-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid Openeye Name: 3-[(4-methoxycarbonylphenyl)methyl]-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid CAS Name: 3-[(4-methoxycarbonylphenyl)methyl]-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid IUPAC Name: 3-[(4-methoxycarbonylphenyl)methyl]-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid Traditional Name: 3-(4-carbomethoxybenzyl)-2-keto-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CC3(OC(C2=O)C(O3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CC3(OC(C2=O)C(O3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H19NO7/c1-27-20(26)14-9-7-13(8-10-14)11-22-12-21(15-5-3-2-4-6-15)28-16(18(22)23)17(29-21)19(24)25/h2-10,16-17H,11-12H2,1H3,(H,24,25)