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

Systemtic Name: 5-[(3,4-dichlorophenyl)-phenylmethoxy-methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(3,4-dichlorophenyl)methyl]-3-propyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-propyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-(3,4-dichlorophenyl)methyl]-3-propyl-2-isoxazoline-5-carboxylic acid Formula: C21H21Cl2NO4 MolecularWeight: 422.30174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(C1)(C(C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=NOC(C1)(C(C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21Cl2NO4/c1-2-6-16-12-21(20(25)26,28-24-16)19(15-9-10-17(22)18(23)11-15)27-13-14-7-4-3-5-8-14/h3-5,7-11,19H,2,6,12-13H2,1H3,(H,25,26)