5-[(4-bromophenyl)-[(4-methylphenyl)methoxy]methyl]-3-butyl-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 5-[(4-bromophenyl)-[(4-methylphenyl)methoxy]methyl]-3-butyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-(p-tolylmethoxy)methyl]-3-butyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-methylphenyl)methoxy]methyl]-3-butyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-methylphenyl)methoxy]methyl]-3-butyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-methylbenzyl)oxy-methyl]-3-butyl-2-isoxazoline-5-carboxylic acid Formula: C23H26BrNO4 MolecularWeight: 460.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C23H26BrNO4/c1-3-4-5-20-14-23(22(26)27,29-25-20)21(18-10-12-19(24)13-11-18)28-15-17-8-6-16(2)7-9-17/h6-13,21H,3-5,14-15H2,1-2H3,(H,26,27)