1,3-benzodioxol-5-yl (2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]-3-methyl-butyric acid 1,3-benzodioxol-5-yl ester Formula: C19H18FNO5 MolecularWeight: 359.348323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FNO5/c1-11(2)17(21-18(22)12-3-5-13(20)6-4-12)19(23)26-14-7-8-15-16(9-14)25-10-24-15/h3-9,11,17H,10H2,1-2H3,(H,21,22)/t17-/m0/s1