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

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-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-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-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-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)13-8-9-17-15(10-13)20(14-6-4-5-7-16(14)25-17)21(28)29-12-19(27)24-11-18(23)26/h4-7,13H,8-12H2,1-3H3,(H2,23,26)(H,24,27)/t13-/m0/s1