ethyl 4-[2-oxidanyl-3-[3-[(phenylmethyl)carbamoyl]phenoxy]propoxy]benzoate

Systemtic Name: ethyl 4-[2-oxidanyl-3-[3-[(phenylmethyl)carbamoyl]phenoxy]propoxy]benzoate Openeye Name: ethyl 4-[3-[3-(benzylcarbamoyl)phenoxy]-2-hydroxy-propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[3-[oxo-[(phenylmethyl)amino]methyl]phenoxy]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(benzylcarbamoyl)phenoxy]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[3-(benzylcarbamoyl)phenoxy]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C26H27NO6 MolecularWeight: 449.49568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(COC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(COC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C26H27NO6/c1-2-31-26(30)20-11-13-23(14-12-20)32-17-22(28)18-33-24-10-6-9-21(15-24)25(29)27-16-19-7-4-3-5-8-19/h3-15,22,28H,2,16-18H2,1H3,(H,27,29)