6-[3-methanoyl-5-(propanoyloxymethyl)phenyl]-4-azabicyclo[4.1.0]heptane-1-carboxylic acid

Systemtic Name: 6-[3-methanoyl-5-(propanoyloxymethyl)phenyl]-4-azabicyclo[4.1.0]heptane-1-carboxylic acid Openeye Name: 6-[3-formyl-5-(propanoyloxymethyl)phenyl]-4-azabicyclo[4.1.0]heptane-1-carboxylic acid CAS Name: 6-[3-formyl-5-(1-oxopropoxymethyl)phenyl]-4-azabicyclo[4.1.0]heptane-1-carboxylic acid IUPAC Name: 6-[3-formyl-5-(propanoyloxymethyl)phenyl]-4-azabicyclo[4.1.0]heptane-1-carboxylic acid Traditional Name: 6-[3-formyl-5-(propionyloxymethyl)phenyl]-4-azabicyclo[4.1.0]heptane-1-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1=CC(=CC(=C1)C23CC2(CCNC3)C(=O)O)C=O

Isomeric SMILES

CCC(=O)OCC1=CC(=CC(=C1)C23CC2(CCNC3)C(=O)O)C=O

InChI

InChI=1S/C18H21NO5/c1-2-15(21)24-9-13-5-12(8-20)6-14(7-13)18-10-17(18,16(22)23)3-4-19-11-18/h5-8,19H,2-4,9-11H2,1H3,(H,22,23)