[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-(1,1-dimethylpropyl)-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-amyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OC(C)C(=O)N

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O[C@H](C)C(=O)N

InChI

InChI=1S/C22H28N2O3/c1-5-22(3,4)14-10-11-18-16(12-14)19(21(26)27-13(2)20(23)25)15-8-6-7-9-17(15)24-18/h6-9,13-14H,5,10-12H2,1-4H3,(H2,23,25)/t13-,14+/m1/s1