3-[4-(5,5-dimethylhexoxy)phenyl]-2-ethoxy-propanoic acid; phenethyl carbamate

Systemtic Name: 3-[4-(5,5-dimethylhexoxy)phenyl]-2-ethoxy-propanoic acid; phenethyl carbamate Openeye Name: 3-[4-(5,5-dimethylhexoxy)phenyl]-2-ethoxy-propanoic acid; phenethyl carbamate CAS Name: carbamic acid phenethyl ester; 3-[4-(5,5-dimethylhexoxy)phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-(5,5-dimethylhexoxy)phenyl]-2-ethoxypropanoic acid; phenethyl carbamate Traditional Name: carbamic acid phenethyl ester; 3-[4-(5,5-dimethylhexoxy)phenyl]-2-ethoxy-propionic acid Formula: C28H41NO6 MolecularWeight: 487.62824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCCCC(C)(C)C)C(=O)O.C1=CC=C(C=C1)CCOC(=O)N

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCCCC(C)(C)C)C(=O)O.C1=CC=C(C=C1)CCOC(=O)N

InChI

InChI=1S/C19H30O4.C9H11NO2/c1-5-22-17(18(20)21)14-15-8-10-16(11-9-15)23-13-7-6-12-19(2,3)4;10-9(11)12-7-6-8-4-2-1-3-5-8/h8-11,17H,5-7,12-14H2,1-4H3,(H,20,21);1-5H,6-7H2,(H2,10,11)