[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-benzal-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C3CCCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=C3CCC/C(=C\C4=CC=CC=C4)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C27H26N2O3/c1-17(26(30)28-20-14-15-20)32-27(31)24-21-11-5-6-13-23(21)29-25-19(10-7-12-22(24)25)16-18-8-3-2-4-9-18/h2-6,8-9,11,13,16-17,20H,7,10,12,14-15H2,1H3,(H,28,30)/b19-16+