2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(2-propylpentyl)carbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(2-propylpentyl)carbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(2-propylpentyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(2-propylpentyl)carbamic acid phenethyl ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; phenethyl N-(2-propylpentyl)carbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(2-propylpentyl)carbamic acid phenethyl ester Formula: C30H45NO6 MolecularWeight: 515.6814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CNC(=O)OCCC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCC(CCC)CNC(=O)OCCC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C17H27NO2.C13H18O4/c1-3-8-16(9-4-2)14-18-17(19)20-13-12-15-10-6-5-7-11-15;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H,18,19);5-8,12H,3-4,9H2,1-2H3,(H,14,15)