4-[(3,4-dichlorophenyl)carbonylamino]-6-(3-methoxypropyl)-5-oxidanylidene-undecanoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)carbonylamino]-6-(3-methoxypropyl)-5-oxidanylidene-undecanoic acid Openeye Name: 4-[(3,4-dichlorobenzoyl)amino]-6-(3-methoxypropyl)-5-oxo-undecanoic acid CAS Name: 4-[[(3,4-dichlorophenyl)-oxomethyl]amino]-6-(3-methoxypropyl)-5-oxoundecanoic acid IUPAC Name: 4-[(3,4-dichlorobenzoyl)amino]-6-(3-methoxypropyl)-5-oxoundecanoic acid Traditional Name: 4-[(3,4-dichlorobenzoyl)amino]-5-keto-6-(3-methoxypropyl)undecanoic acid Formula: C22H31Cl2NO5 MolecularWeight: 460.39124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCC(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C22H31Cl2NO5/c1-3-4-5-7-15(8-6-13-30-2)21(28)19(11-12-20(26)27)25-22(29)16-9-10-17(23)18(24)14-16/h9-10,14-15,19H,3-8,11-13H2,1-2H3,(H,25,29)(H,26,27)