[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-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 [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (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 [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=C2CCCC(=CC3=CC4=C(C=C3)OCO4)C2=NC5=CC=CC=C51

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)C1=C2CCC/C(=C\C3=CC4=C(C=C3)OCO4)/C2=NC5=CC=CC=C51

InChI

InChI=1S/C25H22N2O5/c1-14(24(26)28)32-25(29)22-17-6-2-3-8-19(17)27-23-16(5-4-7-18(22)23)11-15-9-10-20-21(12-15)31-13-30-20/h2-3,6,8-12,14H,4-5,7,13H2,1H3,(H2,26,28)/b16-11+/t14-/m0/s1