[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC1=CC(=CC(=C1)OC)OC

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CCC1=CC(=CC(=C1)OC)OC

InChI

InChI=1S/C17H24N2O6/c1-10(2)15(16(21)19-17(18)22)25-14(20)6-5-11-7-12(23-3)9-13(8-11)24-4/h7-10,15H,5-6H2,1-4H3,(H3,18,19,21,22)/t15-/m1/s1