2-chloranyl-6-fluoranyl-benzaldehyde; 2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Systemtic Name: 2-chloranyl-6-fluoranyl-benzaldehyde; 2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Openeye Name: 2-[tert-butoxycarbonyl(cyclohexyl)amino]propanoic acid; 2-chloro-6-fluoro-benzaldehyde CAS Name: 2-chloro-6-fluorobenzaldehyde; 2-[cyclohexyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-chloro-6-fluorobenzaldehyde; 2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid Traditional Name: 2-[tert-butoxycarbonyl(cyclohexyl)amino]propionic acid; 2-chloro-6-fluoro-benzaldehyde Formula: C21H29ClFNO5 MolecularWeight: 429.910063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1CCCCC1)C(=O)OC(C)(C)C.C1=CC(=C(C(=C1)Cl)C=O)F

Isomeric SMILES

CC(C(=O)O)N(C1CCCCC1)C(=O)OC(C)(C)C.C1=CC(=C(C(=C1)Cl)C=O)F

InChI

InChI=1S/C14H25NO4.C7H4ClFO/c1-10(12(16)17)15(11-8-6-5-7-9-11)13(18)19-14(2,3)4;8-6-2-1-3-7(9)5(6)4-10/h10-11H,5-9H2,1-4H3,(H,16,17);1-4H