[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl] 3-ureidopropanoate CAS Name: 3-(carbamoylamino)propanoic acid [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] 3-(carbamoylamino)propanoate Traditional Name: 3-ureidopropionic acid [2-[ethyl(piperonyl)amino]-2-keto-ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)CCNC(=O)N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)CCNC(=O)N

InChI

InChI=1S/C16H21N3O6/c1-2-19(8-11-3-4-12-13(7-11)25-10-24-12)14(20)9-23-15(21)5-6-18-16(17)22/h3-4,7H,2,5-6,8-10H2,1H3,(H3,17,18,22)