phenacyl 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: phenacyl 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: phenacyl 4-[(4-tert-butylphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid phenacyl ester IUPAC Name: phenacyl 4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-(4-tert-butylbenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid phenacyl ester Formula: C33H31NO3 MolecularWeight: 489.60414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H31NO3/c1-33(2,3)25-18-16-22(17-19-25)20-24-12-9-14-27-30(26-13-7-8-15-28(26)34-31(24)27)32(36)37-21-29(35)23-10-5-4-6-11-23/h4-8,10-11,13,15-20H,9,12,14,21H2,1-3H3