3-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid

Systemtic Name: 3-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid Openeye Name: 3-[6-benzyloxy-2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxo-hexanoyl]oxyhexadecanoic acid CAS Name: 3-[2-[[[(5-chloro-1,3-benzoxazol-2-yl)amino]-oxomethyl]amino]-1,6-dioxo-6-phenylmethoxyhexoxy]hexadecanoic acid IUPAC Name: 3-[2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-oxo-6-phenylmethoxyhexanoyl]oxyhexadecanoic acid Traditional Name: 3-[6-benzoxy-2-[(5-chloro-1,3-benzoxazol-2-yl)carbamoylamino]-6-keto-hexanoyl]oxypalmitic acid Formula: C37H50ClN3O8 MolecularWeight: 700.2612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC3=C(O2)C=CC(=C3)Cl

InChI

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