2-ethoxy-3-(4-nonoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) carbamate

Systemtic Name: 2-ethoxy-3-(4-nonoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) carbamate Openeye Name: 2-ethoxy-3-(4-nonoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) carbamate CAS Name: carbamic acid (2,4,6-trimethylphenyl) ester; 2-ethoxy-3-(4-nonoxyphenyl)propanoic acid IUPAC Name: 2-ethoxy-3-(4-nonoxyphenyl)propanoic acid; (2,4,6-trimethylphenyl) carbamate Traditional Name: carbamic acid mesityl ester; 2-ethoxy-3-(4-nonoxyphenyl)propionic acid Formula: C30H45NO6 MolecularWeight: 515.6814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=C(C(=C1)C)OC(=O)N)C

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)CC(C(=O)O)OCC.CC1=CC(=C(C(=C1)C)OC(=O)N)C

InChI

InChI=1S/C20H32O4.C10H13NO2/c1-3-5-6-7-8-9-10-15-24-18-13-11-17(12-14-18)16-19(20(21)22)23-4-2;1-6-4-7(2)9(8(3)5-6)13-10(11)12/h11-14,19H,3-10,15-16H2,1-2H3,(H,21,22);4-5H,1-3H3,(H2,11,12)