(phenylmethyl) 2-[[2-(3-octadecoxyphenoxy)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-(3-octadecoxyphenoxy)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]ethanoate Openeye Name: benzyl 2-[benzyl-[2-(3-octadecoxyphenoxy)-2-oxo-ethyl]amino]acetate CAS Name: 2-[[2-(3-octadecoxyphenoxy)-2-oxoethyl]-(phenylmethyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[benzyl-[2-(3-octadecoxyphenoxy)-2-oxoethyl]amino]acetate Traditional Name: 2-[benzyl-[2-keto-2-(3-stearyloxyphenoxy)ethyl]amino]acetic acid benzyl ester Formula: C42H59NO5 MolecularWeight: 657.92156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)OC(=O)CN(CC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)OC(=O)CN(CC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C42H59NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-46-39-29-24-30-40(32-39)48-42(45)35-43(33-37-25-19-17-20-26-37)34-41(44)47-36-38-27-21-18-22-28-38/h17-22,24-30,32H,2-16,23,31,33-36H2,1H3