[3-(4-methoxy-3-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-azanyl-3-methyl-pentanoate

Systemtic Name: [3-(4-methoxy-3-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: [3-(3-hydroxy-4-methoxy-phenyl)-4,5-dihydroisoxazol-5-yl]methyl (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic acid [3-(3-hydroxy-4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [3-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid [3-(3-hydroxy-4-methoxy-phenyl)-2-isoxazolin-5-yl]methyl ester Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1CC(=NO1)C2=CC(=C(C=C2)OC)O)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCC1CC(=NO1)C2=CC(=C(C=C2)OC)O)N

InChI

InChI=1S/C17H24N2O5/c1-4-10(2)16(18)17(21)23-9-12-8-13(19-24-12)11-5-6-15(22-3)14(20)7-11/h5-7,10,12,16,20H,4,8-9,18H2,1-3H3/t10?,12?,16-/m0/s1