methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(piperonyloylamino)propionic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-25-20(24)16(8-13-10-21-15-5-3-2-4-14(13)15)22-19(23)12-6-7-17-18(9-12)27-11-26-17/h2-7,9-10,16,21H,8,11H2,1H3,(H,22,23)