2-acetamido-3-(4-hexoxyphenyl)propanoic acid; tert-butyl carbamate

Systemtic Name: 2-acetamido-3-(4-hexoxyphenyl)propanoic acid; tert-butyl carbamate Openeye Name: 2-acetamido-3-(4-hexoxyphenyl)propanoic acid; tert-butyl carbamate CAS Name: 2-acetamido-3-(4-hexoxyphenyl)propanoic acid; carbamic acid tert-butyl ester IUPAC Name: 2-acetamido-3-(4-hexoxyphenyl)propanoic acid; tert-butyl carbamate Traditional Name: 2-acetamido-3-(4-hexoxyphenyl)propionic acid; carbamic acid tert-butyl ester Formula: C22H36N2O6 MolecularWeight: 424.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C.CC(C)(C)OC(=O)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C.CC(C)(C)OC(=O)N

InChI

InChI=1S/C17H25NO4.C5H11NO2/c1-3-4-5-6-11-22-15-9-7-14(8-10-15)12-16(17(20)21)18-13(2)19;1-5(2,3)8-4(6)7/h7-10,16H,3-6,11-12H2,1-2H3,(H,18,19)(H,20,21);1-3H3,(H2,6,7)