[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C20H21N3O6/c1-12(19(25)22-14-7-8-16-17(9-14)28-11-27-16)29-18(24)10-15(23-20(21)26)13-5-3-2-4-6-13/h2-9,12,15H,10-11H2,1H3,(H,22,25)(H3,21,23,26)