methyl 2-[(4-methoxycarbonylphenyl)amino]-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate

Systemtic Name: methyl 2-[(4-methoxycarbonylphenyl)amino]-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate Openeye Name: methyl 2-(4-methoxycarbonylanilino)-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate CAS Name: 2-(4-methoxycarbonylanilino)-5-[[3-(4-octadecoxyphenyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(4-methoxycarbonylanilino)-5-[3-(4-octadecoxyphenyl)propanoylamino]benzoate Traditional Name: 2-(4-carbomethoxyanilino)-5-[3-(4-stearyloxyphenyl)propanoylamino]benzoic acid methyl ester Formula: C43H60N2O6 MolecularWeight: 700.9463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)NC3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)NC3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C43H60N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-51-38-28-20-34(21-29-38)22-31-41(46)45-37-27-30-40(39(33-37)43(48)50-3)44-36-25-23-35(24-26-36)42(47)49-2/h20-21,23-30,33,44H,4-19,22,31-32H2,1-3H3,(H,45,46)