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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenyl-propanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenyl-propanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-2-(piperonylcarbamoylamino)propionic acid methyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O5/c1-24-18(22)15(9-13-5-3-2-4-6-13)21-19(23)20-11-14-7-8-16-17(10-14)26-12-25-16/h2-8,10,15H,9,11-12H2,1H3,(H2,20,21,23)