methyl 2-[[3-(3-bromanylpropoxy)-5-octadecoxy-phenyl]-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: methyl 2-[[3-(3-bromanylpropoxy)-5-octadecoxy-phenyl]-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: methyl 2-[3-(3-bromopropoxy)-N-(2-methoxy-2-oxo-ethyl)-5-octadecoxy-anilino]acetate CAS Name: 2-[3-(3-bromopropoxy)-N-(2-methoxy-2-oxoethyl)-5-octadecoxyanilino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-bromopropoxy)-N-(2-methoxy-2-oxoethyl)-5-octadecoxyanilino]acetate Traditional Name: 2-[3-(3-bromopropoxy)-N-(2-keto-2-methoxy-ethyl)-5-stearyloxy-anilino]acetic acid methyl ester Formula: C33H56BrNO6 MolecularWeight: 642.70484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)OC)CC(=O)OC)OCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N(CC(=O)OC)CC(=O)OC)OCCCBr

InChI

InChI=1S/C33H56BrNO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-40-30-24-29(25-31(26-30)41-23-20-21-34)35(27-32(36)38-2)28-33(37)39-3/h24-26H,4-23,27-28H2,1-3H3