2-(4-phenylbutylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-(4-phenylbutylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-(4-phenylbutylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[oxo-(4-phenylbutylamino)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: 2-(4-phenylbutylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-(4-phenylbutylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2C3C=CC(C2C(=O)O)O3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2C3C=CC(C2C(=O)O)O3

InChI

InChI=1S/C18H21NO4/c20-17(15-13-9-10-14(23-13)16(15)18(21)22)19-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,9-10,13-16H,4-5,8,11H2,(H,19,20)(H,21,22)