[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (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 [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (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 [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C2CC(CCC2=NC3=CC=CC=C31)C(C)(C)C

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=C2C[C@H](CCC2=NC3=CC=CC=C31)C(C)(C)C

InChI

InChI=1S/C24H31N3O4/c1-13(2)20(21(28)27-23(25)30)31-22(29)19-15-8-6-7-9-17(15)26-18-11-10-14(12-16(18)19)24(3,4)5/h6-9,13-14,20H,10-12H2,1-5H3,(H3,25,27,28,30)/t14-,20+/m0/s1