methyl 3-(hydroxymethyl)-5-(nonanoylamino)benzoate

Systemtic Name: methyl 3-(hydroxymethyl)-5-(nonanoylamino)benzoate Openeye Name: methyl 3-(hydroxymethyl)-5-(nonanoylamino)benzoate CAS Name: 3-(hydroxymethyl)-5-(1-oxononylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(hydroxymethyl)-5-(nonanoylamino)benzoate Traditional Name: 3-methylol-5-(pelargonylamino)benzoic acid methyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC(=CC(=C1)CO)C(=O)OC

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC(=CC(=C1)CO)C(=O)OC

InChI

InChI=1S/C18H27NO4/c1-3-4-5-6-7-8-9-17(21)19-16-11-14(13-20)10-15(12-16)18(22)23-2/h10-12,20H,3-9,13H2,1-2H3,(H,19,21)