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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(cyclopentylamino)-2-oxo-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-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-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-(cyclopentylamino)-2-keto-ethyl] ester Formula: C29H28N2O5 MolecularWeight: 484.54302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

InChI

InChI=1S/C29H28N2O5/c32-26(30-20-7-1-2-8-20)16-34-29(33)27-21-9-3-4-11-23(21)31-28-19(6-5-10-22(27)28)14-18-12-13-24-25(15-18)36-17-35-24/h3-4,9,11-15,20H,1-2,5-8,10,16-17H2,(H,30,32)