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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C19H18N2O6/c20-19(24)21-14(12-4-2-1-3-5-12)9-18(23)25-10-15(22)13-6-7-16-17(8-13)27-11-26-16/h1-8,14H,9-11H2,(H3,20,21,24)