[2-(butylamino)-2-oxidanylidene-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(butylamino)-2-oxo-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (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-(butylamino)-2-keto-ethyl] ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C2CCCC(=CC3=CC4=C(C=C3)OCO4)C2=NC5=CC=CC=C51

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C2CCC/C(=C\C3=CC4=C(C=C3)OCO4)/C2=NC5=CC=CC=C51

InChI

InChI=1S/C28H28N2O5/c1-2-3-13-29-25(31)16-33-28(32)26-20-8-4-5-10-22(20)30-27-19(7-6-9-21(26)27)14-18-11-12-23-24(15-18)35-17-34-23/h4-5,8,10-12,14-15H,2-3,6-7,9,13,16-17H2,1H3,(H,29,31)/b19-14+