[(5S)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl naphthalene-2-carboxylate

Systemtic Name: [(5S)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl naphthalene-2-carboxylate Openeye Name: [(5S)-3-(4-bromophenyl)-2,5-dihydroisoxazol-5-yl]methyl naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [(5S)-3-(4-bromophenyl)-2,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [(5S)-3-(4-bromophenyl)-3-isoxazolin-5-yl]methyl ester Formula: C21H16BrNO3 MolecularWeight: 410.26064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC3C=C(NO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)OC[C@@H]3C=C(NO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrNO3/c22-18-9-7-15(8-10-18)20-12-19(26-23-20)13-25-21(24)17-6-5-14-3-1-2-4-16(14)11-17/h1-12,19,23H,13H2/t19-/m0/s1