tert-butyl 2-[3-(4-octadecoxyphenyl)propanoylamino]ethanoate

Systemtic Name: tert-butyl 2-[3-(4-octadecoxyphenyl)propanoylamino]ethanoate Openeye Name: tert-butyl 2-[3-(4-octadecoxyphenyl)propanoylamino]acetate CAS Name: 2-[[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(4-octadecoxyphenyl)propanoylamino]acetate Traditional Name: 2-[3-(4-stearyloxyphenyl)propanoylamino]acetic acid tert-butyl ester Formula: C33H57NO4 MolecularWeight: 531.80998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NCC(=O)OC(C)(C)C

InChI

InChI=1S/C33H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-37-30-24-21-29(22-25-30)23-26-31(35)34-28-32(36)38-33(2,3)4/h21-22,24-25H,5-20,23,26-28H2,1-4H3,(H,34,35)