octyl 3-azanyl-5-[2-[[5-(hexanoylamino)-2-octoxy-phenyl]carbonylamino]ethanoylamino]benzoate

Systemtic Name: octyl 3-azanyl-5-[2-[[5-(hexanoylamino)-2-octoxy-phenyl]carbonylamino]ethanoylamino]benzoate Openeye Name: octyl 3-amino-5-[[2-[[5-(hexanoylamino)-2-octoxy-benzoyl]amino]acetyl]amino]benzoate CAS Name: 3-amino-5-[[2-[[[2-octoxy-5-(1-oxohexylamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid octyl ester IUPAC Name: octyl 3-amino-5-[[2-[[5-(hexanoylamino)-2-octoxybenzoyl]amino]acetyl]amino]benzoate Traditional Name: 3-amino-5-[[2-[[5-(caproylamino)-2-octoxy-benzoyl]amino]acetyl]amino]benzoic acid octyl ester Formula: C38H58N4O6 MolecularWeight: 666.89032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)CCCCC)C(=O)NCC(=O)NC2=CC(=CC(=C2)N)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)CCCCC)C(=O)NCC(=O)NC2=CC(=CC(=C2)N)C(=O)OCCCCCCCC

InChI

InChI=1S/C38H58N4O6/c1-4-7-10-12-14-17-22-47-34-21-20-31(41-35(43)19-16-9-6-3)27-33(34)37(45)40-28-36(44)42-32-25-29(24-30(39)26-32)38(46)48-23-18-15-13-11-8-5-2/h20-21,24-27H,4-19,22-23,28,39H2,1-3H3,(H,40,45)(H,41,43)(H,42,44)