2-[(3-phenylpropanoylamino)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(3-phenylpropanoylamino)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(3-phenylpropanoylamino)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[oxo-[(1-oxo-3-phenylpropyl)hydrazo]methyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: 2-[(3-phenylpropanoylamino)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(hydrocinnamoylamino)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NNC(=O)C2C3C=CC(C2C(=O)O)O3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NNC(=O)C2C3C=CC(C2C(=O)O)O3

InChI

InChI=1S/C17H18N2O5/c20-13(9-6-10-4-2-1-3-5-10)18-19-16(21)14-11-7-8-12(24-11)15(14)17(22)23/h1-5,7-8,11-12,14-15H,6,9H2,(H,18,20)(H,19,21)(H,22,23)