(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(piperonylcarbamoylamino)propionate Formula: C18H17N2O5- MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H18N2O5/c21-17(22)14(8-12-4-2-1-3-5-12)20-18(23)19-10-13-6-7-15-16(9-13)25-11-24-15/h1-7,9,14H,8,10-11H2,(H,21,22)(H2,19,20,23)/p-1/t14-/m0/s1