cyanomethyl (2S,4E)-2-tert-butyl-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: cyanomethyl (2S,4E)-2-tert-butyl-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: cyanomethyl (2S,4E)-2-tert-butyl-4-[(4-methoxyphenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2S,4E)-2-tert-butyl-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S,4E)-2-tert-butyl-4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2S,4E)-2-tert-butyl-4-p-anisylidene-2,3-dihydro-1H-acridine-9-carboxylic acid cyanomethyl ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC#N

Isomeric SMILES

CC(C)(C)[C@H]1C/C(=C\C2=CC=C(C=C2)OC)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC#N

InChI

InChI=1S/C28H28N2O3/c1-28(2,3)20-16-19(15-18-9-11-21(32-4)12-10-18)26-23(17-20)25(27(31)33-14-13-29)22-7-5-6-8-24(22)30-26/h5-12,15,20H,14,16-17H2,1-4H3/b19-15+/t20-/m0/s1