ethyl 4-[[2-(hydroxymethyl)-3-(oxan-2-yloxy)propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(hydroxymethyl)-3-(oxan-2-yloxy)propanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-(hydroxymethyl)-3-tetrahydropyran-2-yloxy-propanoyl]amino]benzoate CAS Name: 4-[[2-(hydroxymethyl)-3-(2-oxanyloxy)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(hydroxymethyl)-3-(oxan-2-yloxy)propanoyl]amino]benzoate Traditional Name: 4-[(2-methylol-3-tetrahydropyran-2-yloxy-propanoyl)amino]benzoic acid ethyl ester Formula: C18H25NO6 MolecularWeight: 351.3942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CO)COC2CCCCO2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CO)COC2CCCCO2

InChI

InChI=1S/C18H25NO6/c1-2-23-18(22)13-6-8-15(9-7-13)19-17(21)14(11-20)12-25-16-5-3-4-10-24-16/h6-9,14,16,20H,2-5,10-12H2,1H3,(H,19,21)