2-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]pentanoyloxy]-5-phenylmethoxycarbonyl-hexadecanoic acid

Systemtic Name: 2-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]pentanoyloxy]-5-phenylmethoxycarbonyl-hexadecanoic acid Openeye Name: 5-benzyloxycarbonyl-2-[2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]pentanoyloxy]hexadecanoic acid CAS Name: 2-[2-[[[(5-chloro-1,3-benzoxazol-2-yl)amino]-oxomethyl]amino]-1-oxopentoxy]-5-phenylmethoxycarbonylhexadecanoic acid IUPAC Name: 2-[2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]pentanoyloxy]-5-phenylmethoxycarbonylhexadecanoic acid Traditional Name: 5-carbobenzoxy-2-[2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]pentanoyloxy]palmitic acid Formula: C37H50ClN3O8 MolecularWeight: 700.2612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(C(=O)O)OC(=O)C(CCC)NC(=O)NC1=NC2=C(O1)C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(CCC(C(=O)O)OC(=O)C(CCC)NC(=O)NC1=NC2=C(O1)C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C37H50ClN3O8/c1-3-5-6-7-8-9-10-11-15-19-27(34(44)47-25-26-17-13-12-14-18-26)20-22-32(33(42)43)48-35(45)29(16-4-2)39-36(46)41-37-40-30-24-28(38)21-23-31(30)49-37/h12-14,17-18,21,23-24,27,29,32H,3-11,15-16,19-20,22,25H2,1-2H3,(H,42,43)(H2,39,40,41,46)