methyl (2S)-2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-[[2-(piperonyloylamino)acetyl]amino]propionic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H20N2O6/c1-26-20(25)15(9-13-5-3-2-4-6-13)22-18(23)11-21-19(24)14-7-8-16-17(10-14)28-12-27-16/h2-8,10,15H,9,11-12H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1