5-[(3,4-dichlorophenyl)-phenylmethoxy-methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 5-[(3,4-dichlorophenyl)-phenylmethoxy-methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(3,4-dichlorophenyl)methyl]-3-(3-methoxy-3-oxo-propyl)-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-(3-methoxy-3-oxopropyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-(3-methoxy-3-oxopropyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-(3,4-dichlorophenyl)methyl]-3-(3-keto-3-methoxy-propyl)-2-isoxazoline-5-carboxylic acid Formula: C22H21Cl2NO6 MolecularWeight: 466.31124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NOC(C1)(C(C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(=O)CCC1=NOC(C1)(C(C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21Cl2NO6/c1-29-19(26)10-8-16-12-22(21(27)28,31-25-16)20(15-7-9-17(23)18(24)11-15)30-13-14-5-3-2-4-6-14/h2-7,9,11,20H,8,10,12-13H2,1H3,(H,27,28)