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

Systemtic Name: butan-2-yl N-(3-phenoxypropyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; sec-butyl N-(3-phenoxypropyl)carbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-(3-phenoxypropyl)carbamic acid butan-2-yl ester IUPAC Name: butan-2-yl N-(3-phenoxypropyl)carbamate; 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-(3-phenoxypropyl)carbamic acid sec-butyl ester Formula: C27H39NO7 MolecularWeight: 489.60106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)NCCCOC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCC(C)OC(=O)NCCCOC1=CC=CC=C1.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C14H21NO3.C13H18O4/c1-3-12(2)18-14(16)15-10-7-11-17-13-8-5-4-6-9-13;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,15,16);5-8,12H,3-4,9H2,1-2H3,(H,14,15)