[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5/c25-21(23-17-5-7-18(8-6-17)24-11-1-2-12-24)14-27-22(26)10-4-16-3-9-19-20(13-16)29-15-28-19/h3,5-9,13H,1-2,4,10-12,14-15H2,(H,23,25)