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

Systemtic Name: 5-[(3,4-dichlorophenyl)-phenylmethoxy-methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(3,4-dichlorophenyl)methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-pentyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(3,4-dichlorophenyl)-phenylmethoxymethyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-amyl-5-[benzoxy-(3,4-dichlorophenyl)methyl]-2-isoxazoline-5-carboxylic acid Formula: C23H25Cl2NO4 MolecularWeight: 450.3549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NOC(C1)(C(C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC1=NOC(C1)(C(C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25Cl2NO4/c1-2-3-5-10-18-14-23(22(27)28,30-26-18)21(17-11-12-19(24)20(25)13-17)29-15-16-8-6-4-7-9-16/h4,6-9,11-13,21H,2-3,5,10,14-15H2,1H3,(H,27,28)