methyl (2S)-2-[[3-(1,3-benzodioxol-5-ylmethyl)-1,2-oxazol-5-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[3-(1,3-benzodioxol-5-ylmethyl)-1,2-oxazol-5-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[3-(1,3-benzodioxol-5-ylmethyl)isoxazole-5-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[3-(1,3-benzodioxol-5-ylmethyl)-5-isoxazolyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(1,3-benzodioxol-5-ylmethyl)-1,2-oxazole-5-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-phenyl-2-[(3-piperonylisoxazole-5-carbonyl)amino]acetic acid methyl ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC(=NO2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=NO2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O6/c1-26-21(25)19(14-5-3-2-4-6-14)22-20(24)18-11-15(23-29-18)9-13-7-8-16-17(10-13)28-12-27-16/h2-8,10-11,19H,9,12H2,1H3,(H,22,24)/t19-/m0/s1