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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C28H28N2O5 MolecularWeight: 472.53232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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