3-[2-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid

Systemtic Name: 3-[2-[(5-chloranylpyridin-2-yl)carbamoylamino]-6-oxidanylidene-6-phenylmethoxy-hexanoyl]oxyhexadecanoic acid Openeye Name: 3-[6-benzyloxy-2-[(5-chloro-2-pyridyl)carbamoylamino]-6-oxo-hexanoyl]oxyhexadecanoic acid CAS Name: 3-[2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]-1,6-dioxo-6-phenylmethoxyhexoxy]hexadecanoic acid IUPAC Name: 3-[2-[(5-chloropyridin-2-yl)carbamoylamino]-6-oxo-6-phenylmethoxyhexanoyl]oxyhexadecanoic acid Traditional Name: 3-[6-benzoxy-2-[(5-chloro-2-pyridyl)carbamoylamino]-6-keto-hexanoyl]oxypalmitic acid Formula: C35H50ClN3O7 MolecularWeight: 660.2404

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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=NC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)O)OC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C35H50ClN3O7/c1-2-3-4-5-6-7-8-9-10-11-15-19-29(24-32(40)41)46-34(43)30(38-35(44)39-31-23-22-28(36)25-37-31)20-16-21-33(42)45-26-27-17-13-12-14-18-27/h12-14,17-18,22-23,25,29-30H,2-11,15-16,19-21,24,26H2,1H3,(H,40,41)(H2,37,38,39,44)