4-oxidanylidene-4-[(4-phenyloxan-4-yl)methylamino]butanoate

Systemtic Name: 4-oxidanylidene-4-[(4-phenyloxan-4-yl)methylamino]butanoate Openeye Name: 4-oxo-4-[(4-phenyltetrahydropyran-4-yl)methylamino]butanoate CAS Name: 4-oxo-4-[(4-phenyl-4-oxanyl)methylamino]butanoate IUPAC Name: 4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butanoate Traditional Name: 4-keto-4-[(4-phenyltetrahydropyran-4-yl)methylamino]butyrate Formula: C16H20NO4- MolecularWeight: 290.3343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CNC(=O)CCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1COCCC1(CNC(=O)CCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H21NO4/c18-14(6-7-15(19)20)17-12-16(8-10-21-11-9-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,18)(H,19,20)/p-1