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

Systemtic Name: [(5S)-3-(4-methoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate Openeye Name: [(5S)-3-(4-methoxyphenyl)-2,5-dihydroisoxazol-5-yl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(5S)-3-(4-methoxyphenyl)-2,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-(4-methoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [(5S)-3-(4-methoxyphenyl)-3-isoxazolin-5-yl]methyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(ON2)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[C@H](ON2)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2O4/c1-25-16-9-6-15(7-10-16)20-12-17(27-23-20)13-26-21(24)19-11-8-14-4-2-3-5-18(14)22-19/h2-12,17,23H,13H2,1H3/t17-/m0/s1