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

Systemtic Name: 5-[(3,4-dichlorophenyl)-phenylmethoxy-methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(3,4-dichlorophenyl)methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-ethyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-(3,4-dichlorophenyl)methyl]-3-ethyl-2-isoxazoline-5-carboxylic acid Formula: C20H19Cl2NO4 MolecularWeight: 408.27516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2NO4/c1-2-15-11-20(19(24)25,27-23-15)18(14-8-9-16(21)17(22)10-14)26-12-13-6-4-3-5-7-13/h3-10,18H,2,11-12H2,1H3,(H,24,25)