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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-methyl-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-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-11(2)18(19(25)24-21(22)27)28-20(26)17-13-6-4-5-7-15(13)23-16-9-8-12(3)10-14(16)17/h4-7,11-12,18H,8-10H2,1-3H3,(H3,22,24,25,27)/t12-,18+/m0/s1