tert-butyl N-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]carbamate; 2-(3-ethyl-4-phenyl-phenoxy)ethanoate

Systemtic Name: tert-butyl N-[2-(3-chlorophenyl)-2-oxidanyl-ethyl]carbamate; 2-(3-ethyl-4-phenyl-phenoxy)ethanoate Openeye Name: tert-butyl N-[2-(3-chlorophenyl)-2-hydroxy-ethyl]carbamate; 2-(3-ethyl-4-phenyl-phenoxy)acetate CAS Name: N-[2-(3-chlorophenyl)-2-hydroxyethyl]carbamic acid tert-butyl ester; 2-(3-ethyl-4-phenylphenoxy)acetate IUPAC Name: tert-butyl N-[2-(3-chlorophenyl)-2-hydroxyethyl]carbamate; 2-(3-ethyl-4-phenylphenoxy)acetate Traditional Name: N-[2-(3-chlorophenyl)-2-hydroxy-ethyl]carbamic acid tert-butyl ester; 2-(3-ethyl-4-phenyl-phenoxy)acetate Formula: C29H33ClNO6- MolecularWeight: 527.02842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCC(=O)[O-])C2=CC=CC=C2.CC(C)(C)OC(=O)NCC(C1=CC(=CC=C1)Cl)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OCC(=O)[O-])C2=CC=CC=C2.CC(C)(C)OC(=O)NCC(C1=CC(=CC=C1)Cl)O

InChI

InChI=1S/C16H16O3.C13H18ClNO3/c1-2-12-10-14(19-11-16(17)18)8-9-15(12)13-6-4-3-5-7-13;1-13(2,3)18-12(17)15-8-11(16)9-5-4-6-10(14)7-9/h3-10H,2,11H2,1H3,(H,17,18);4-7,11,16H,8H2,1-3H3,(H,15,17)/p-1