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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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