2-[5-methoxy-2-[(phenethylamino)methyl]phenyl]-5-oxidanylidene-oxolane-3-carboxylic acid

Systemtic Name: 2-[5-methoxy-2-[(phenethylamino)methyl]phenyl]-5-oxidanylidene-oxolane-3-carboxylic acid Openeye Name: 2-[5-methoxy-2-[(phenethylamino)methyl]phenyl]-5-oxo-tetrahydrofuran-3-carboxylic acid CAS Name: 2-[5-methoxy-2-[(phenethylamino)methyl]phenyl]-5-oxo-3-oxolanecarboxylic acid IUPAC Name: 2-[5-methoxy-2-[(phenethylamino)methyl]phenyl]-5-oxooxolane-3-carboxylic acid Traditional Name: 5-keto-2-[5-methoxy-2-[(phenethylamino)methyl]phenyl]tetrahydrofuran-3-carboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCCC2=CC=CC=C2)C3C(CC(=O)O3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNCCC2=CC=CC=C2)C3C(CC(=O)O3)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-26-16-8-7-15(13-22-10-9-14-5-3-2-4-6-14)17(11-16)20-18(21(24)25)12-19(23)27-20/h2-8,11,18,20,22H,9-10,12-13H2,1H3,(H,24,25)