[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H26N2O7/c1-33-20-10-6-18(7-11-20)9-13-25(30)29-22-5-3-2-4-21(22)27(32)34-16-26(31)28-15-19-8-12-23-24(14-19)36-17-35-23/h2-8,10-12,14H,9,13,15-17H2,1H3,(H,28,31)(H,29,30)