(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=C3CCC/C(=C\C4=CC5=C(C=C4)OCO5)/C3=NC6=CC=CC=C62

InChI

InChI=1S/C28H26N2O5/c31-25(30-12-3-4-13-30)16-33-28(32)26-20-7-1-2-9-22(20)29-27-19(6-5-8-21(26)27)14-18-10-11-23-24(15-18)35-17-34-23/h1-2,7,9-11,14-15H,3-6,8,12-13,16-17H2/b19-14+