[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (4E)-4-(p-tolylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (4E)-4-[(4-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(4-methylbenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C27H25N3O3/c1-18-10-12-19(13-11-18)16-20-6-4-8-22-25(21-7-2-3-9-23(21)30-26(20)22)27(32)33-17-24(31)29-15-5-14-28/h2-3,7,9-13,16H,4-6,8,15,17H2,1H3,(H,29,31)/b20-16+