methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propanoate

Systemtic Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propanoate Openeye Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[[(tert-butylamino)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propanoate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(tert-butylcarbamoylamino)propionic acid methyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(CC(=O)OC)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)NC(=O)N[C@H](CC(=O)OC)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H22N2O5/c1-16(2,3)18-15(20)17-11(8-14(19)21-4)10-5-6-12-13(7-10)23-9-22-12/h5-7,11H,8-9H2,1-4H3,(H2,17,18,20)/t11-/m1/s1