8-[[5-(chloromethyl)-2-methoxy-phenyl]carbonylamino]octanoic acid

Systemtic Name: 8-[[5-(chloromethyl)-2-methoxy-phenyl]carbonylamino]octanoic acid Openeye Name: 8-[[5-(chloromethyl)-2-methoxy-benzoyl]amino]octanoic acid CAS Name: 8-[[[5-(chloromethyl)-2-methoxyphenyl]-oxomethyl]amino]octanoic acid IUPAC Name: 8-[[5-(chloromethyl)-2-methoxybenzoyl]amino]octanoic acid Traditional Name: 8-[[5-(chloromethyl)-2-methoxy-benzoyl]amino]caprylic acid Formula: C17H24ClNO4 MolecularWeight: 341.82976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCl)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCl)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C17H24ClNO4/c1-23-15-9-8-13(12-18)11-14(15)17(22)19-10-6-4-2-3-5-7-16(20)21/h8-9,11H,2-7,10,12H2,1H3,(H,19,22)(H,20,21)