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

Systemtic Name: 5-[(4-bromophenyl)-phenylmethoxy-methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[benzyloxy-(4-bromophenyl)methyl]-3-(3-methoxy-3-oxo-propyl)-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-(3-methoxy-3-oxopropyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-phenylmethoxymethyl]-3-(3-methoxy-3-oxopropyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[benzoxy-(4-bromophenyl)methyl]-3-(3-keto-3-methoxy-propyl)-2-isoxazoline-5-carboxylic acid Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO6/c1-28-19(25)12-11-18-13-22(21(26)27,30-24-18)20(16-7-9-17(23)10-8-16)29-14-15-5-3-2-4-6-15/h2-10,20H,11-14H2,1H3,(H,26,27)