[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27N3O3/c1-27(2,3)18-10-13-23-21(14-18)25(20-6-4-5-7-22(20)30-23)26(32)33-16-24(31)29-19-11-8-17(15-28)9-12-19/h4-9,11-12,18H,10,13-14,16H2,1-3H3,(H,29,31)/t18-/m0/s1