[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-[(4-fluorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-(4-fluorobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C29H29FN2O3 MolecularWeight: 472.550563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC=C(C=C4)F)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC=C(C=C4)F)C3=NC5=CC=CC=C52

InChI

InChI=1S/C29H29FN2O3/c30-21-15-13-19(14-16-21)17-20-7-6-11-24-27(23-10-4-5-12-25(23)32-28(20)24)29(34)35-18-26(33)31-22-8-2-1-3-9-22/h4-5,10,12-17,22H,1-3,6-9,11,18H2,(H,31,33)