cyclohexanamine; (2R)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]propanoic acid

Systemtic Name: cyclohexanamine; (2R)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]propanoic acid Openeye Name: cyclohexanamine; (2R)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]propanoic acid CAS Name: cyclohexanamine; (2R)-2-[[2-(3,5-dimethoxyphenyl)propan-2-yloxy-oxomethyl]amino]propanoic acid IUPAC Name: cyclohexanamine; (2R)-2-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]propanoic acid Traditional Name: cyclohexylamine; (2R)-2-[[1-(3,5-dimethoxyphenyl)-1-methyl-ethoxy]carbonylamino]propionic acid Formula: C21H34N2O6 MolecularWeight: 410.50446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)OC(C)(C)C1=CC(=CC(=C1)OC)OC.C1CCC(CC1)N

Isomeric SMILES

C[C@H](C(=O)O)NC(=O)OC(C)(C)C1=CC(=CC(=C1)OC)OC.C1CCC(CC1)N

InChI

InChI=1S/C15H21NO6.C6H13N/c1-9(13(17)18)16-14(19)22-15(2,3)10-6-11(20-4)8-12(7-10)21-5;7-6-4-2-1-3-5-6/h6-9H,1-5H3,(H,16,19)(H,17,18);6H,1-5,7H2/t9-;/m1./s1