4-oxidanylidene-4-[(3-pentoxyphenyl)methylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(3-pentoxyphenyl)methylamino]butanoic acid Openeye Name: 4-oxo-4-[(3-pentoxyphenyl)methylamino]butanoic acid CAS Name: 4-oxo-4-[(3-pentoxyphenyl)methylamino]butanoic acid IUPAC Name: 4-oxo-4-[(3-pentoxyphenyl)methylamino]butanoic acid Traditional Name: 4-[(3-amoxybenzyl)amino]-4-keto-butyric acid Formula: C16H23NO4 MolecularWeight: 293.35812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)CNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)CNC(=O)CCC(=O)O

InChI

InChI=1S/C16H23NO4/c1-2-3-4-10-21-14-7-5-6-13(11-14)12-17-15(18)8-9-16(19)20/h5-7,11H,2-4,8-10,12H2,1H3,(H,17,18)(H,19,20)