3-[4-[2-(heptylamino)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-2-methyl-propanoic acid

Systemtic Name: 3-[4-[2-(heptylamino)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-2-methyl-propanoic acid Openeye Name: 3-[4-[2-(heptylamino)-2-oxo-ethoxy]phenyl]-2-methoxy-2-methyl-propanoic acid CAS Name: 3-[4-[2-(heptylamino)-2-oxoethoxy]phenyl]-2-methoxy-2-methylpropanoic acid IUPAC Name: 3-[4-[2-(heptylamino)-2-oxoethoxy]phenyl]-2-methoxy-2-methylpropanoic acid Traditional Name: 3-[4-[2-(heptylamino)-2-keto-ethoxy]phenyl]-2-methoxy-2-methyl-propionic acid Formula: C20H31NO5 MolecularWeight: 365.46384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)COC1=CC=C(C=C1)CC(C)(C(=O)O)OC

Isomeric SMILES

CCCCCCCNC(=O)COC1=CC=C(C=C1)CC(C)(C(=O)O)OC

InChI

InChI=1S/C20H31NO5/c1-4-5-6-7-8-13-21-18(22)15-26-17-11-9-16(10-12-17)14-20(2,25-3)19(23)24/h9-12H,4-8,13-15H2,1-3H3,(H,21,22)(H,23,24)