[2-(methylamino)-2-oxidanylidene-ethyl] (4E)-4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (4E)-4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (4E)-4-[(4-tert-butylphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (4E)-4-[(4-tert-butylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(4-tert-butylbenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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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)NC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/2\CCCC3=C(C4=CC=CC=C4N=C23)C(=O)OCC(=O)NC

InChI

InChI=1S/C28H30N2O3/c1-28(2,3)20-14-12-18(13-15-20)16-19-8-7-10-22-25(27(32)33-17-24(31)29-4)21-9-5-6-11-23(21)30-26(19)22/h5-6,9,11-16H,7-8,10,17H2,1-4H3,(H,29,31)/b19-16+