[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6/c1-14(20(26)23-12-15-7-8-17-18(11-15)29-13-28-17)30-19(25)9-10-22-21(27)24-16-5-3-2-4-6-16/h2-8,11,14H,9-10,12-13H2,1H3,(H,23,26)(H2,22,24,27)/t14-/m1/s1