3-[3-(2-ethoxyethoxy)-4-[3-[[hexanoyl(methyl)amino]methyl]phenyl]phenyl]propanoic acid

Systemtic Name: 3-[3-(2-ethoxyethoxy)-4-[3-[[hexanoyl(methyl)amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 3-[3-(2-ethoxyethoxy)-4-[3-[[hexanoyl(methyl)amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 3-[3-(2-ethoxyethoxy)-4-[3-[[methyl(1-oxohexyl)amino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 3-[3-(2-ethoxyethoxy)-4-[3-[[hexanoyl(methyl)amino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[3-[[caproyl(methyl)amino]methyl]phenyl]-3-(2-ethoxyethoxy)phenyl]propionic acid Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C)CC1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCOCC

Isomeric SMILES

CCCCCC(=O)N(C)CC1=CC=CC(=C1)C2=C(C=C(C=C2)CCC(=O)O)OCCOCC

InChI

InChI=1S/C27H37NO5/c1-4-6-7-11-26(29)28(3)20-22-9-8-10-23(18-22)24-14-12-21(13-15-27(30)31)19-25(24)33-17-16-32-5-2/h8-10,12,14,18-19H,4-7,11,13,15-17,20H2,1-3H3,(H,30,31)