(phenylmethyl) 6-oxidanylidene-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)hexanoate Openeye Name: benzyl 6-oxo-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)hexanoate CAS Name: 6-oxo-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)hexanoate Traditional Name: 6-keto-6-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)hexanoic acid benzyl ester Formula: C25H39NO8 MolecularWeight: 481.57906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCOCCOCCN1C(=O)CCCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1COCCOCCOCCOCCOCCN1C(=O)CCCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H39NO8/c27-24(8-4-5-9-25(28)34-22-23-6-2-1-3-7-23)26-10-12-29-14-16-31-18-20-33-21-19-32-17-15-30-13-11-26/h1-3,6-7H,4-5,8-22H2