2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-octylcarbamate

Systemtic Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-octylcarbamate Openeye Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methyl-phenyl) N-octylcarbamate CAS Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; N-octylcarbamic acid (2-methoxy-5-methylphenyl) ester IUPAC Name: 2-ethoxy-3-(4-ethoxyphenyl)propanoic acid; (2-methoxy-5-methylphenyl) N-octylcarbamate Traditional Name: 2-ethoxy-3-p-phenetyl-propionic acid; N-octylcarbamic acid (2-methoxy-5-methyl-phenyl) ester Formula: C30H45NO7 MolecularWeight: 531.6808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)OC1=C(C=CC(=C1)C)OC.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

Isomeric SMILES

CCCCCCCCNC(=O)OC1=C(C=CC(=C1)C)OC.CCOC1=CC=C(C=C1)CC(C(=O)O)OCC

InChI

InChI=1S/C17H27NO3.C13H18O4/c1-4-5-6-7-8-9-12-18-17(19)21-16-13-14(2)10-11-15(16)20-3;1-3-16-11-7-5-10(6-8-11)9-12(13(14)15)17-4-2/h10-11,13H,4-9,12H2,1-3H3,(H,18,19);5-8,12H,3-4,9H2,1-2H3,(H,14,15)