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

Systemtic Name: 5-[(4-bromophenyl)-phenylmethoxy-methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(4-bromophenyl)methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-pentyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-amyl-5-[benzoxy-(4-bromophenyl)methyl]-2-isoxazoline-5-carboxylic acid Formula: C23H26BrNO4 MolecularWeight: 460.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrNO4/c1-2-3-5-10-20-15-23(22(26)27,29-25-20)21(18-11-13-19(24)14-12-18)28-16-17-8-6-4-7-9-17/h4,6-9,11-14,21H,2-3,5,10,15-16H2,1H3,(H,26,27)