butan-2-yl N-(3-methylbutyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid

Systemtic Name: butan-2-yl N-(3-methylbutyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; sec-butyl N-isopentylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-methylbutyl)carbamic acid butan-2-yl ester IUPAC Name: butan-2-yl N-(3-methylbutyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-isoamylcarbamic acid sec-butyl ester Formula: C23H39NO6 MolecularWeight: 425.55886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)NCCC(C)C.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCC(C)OC(=O)NCCC(C)C.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C13H18O4.C10H21NO2/c1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2;1-5-9(4)13-10(12)11-7-6-8(2)3/h5-8,12H,3-4,9H2,1-2H3,(H,14,15);8-9H,5-7H2,1-4H3,(H,11,12)