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

Systemtic Name: 2-ethoxy-3-[4-(5-methylhexoxy)phenyl]propanoic acid; phenethyl carbamate Openeye Name: 2-ethoxy-3-[4-(5-methylhexoxy)phenyl]propanoic acid; phenethyl carbamate CAS Name: carbamic acid phenethyl ester; 2-ethoxy-3-[4-(5-methylhexoxy)phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-(5-methylhexoxy)phenyl]propanoic acid; phenethyl carbamate Traditional Name: carbamic acid phenethyl ester; 2-ethoxy-3-[4-(5-methylhexoxy)phenyl]propionic acid Formula: C27H39NO6 MolecularWeight: 473.60166

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H28O4.C9H11NO2/c1-4-21-17(18(19)20)13-15-8-10-16(11-9-15)22-12-6-5-7-14(2)3;10-9(11)12-7-6-8-4-2-1-3-5-8/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,19,20);1-5H,6-7H2,(H2,10,11)