5-[2-(2-carboxyethyl)-3-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]phenoxy]pentanoic acid

Systemtic Name: 5-[2-(2-carboxyethyl)-3-[3-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)propoxy]phenoxy]pentanoic acid Openeye Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]-2-(2-carboxyethyl)phenoxy]pentanoic acid CAS Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-2-(2-carboxyethyl)phenoxy]pentanoic acid IUPAC Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-2-(2-carboxyethyl)phenoxy]pentanoic acid Traditional Name: 5-[3-[3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxy]-2-(2-carboxyethyl)phenoxy]valeric acid Formula: C29H38O9 MolecularWeight: 530.60662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCOC2=CC=CC(=C2CCC(=O)O)OCCCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCOC2=CC=CC(=C2CCC(=O)O)OCCCCC(=O)O

InChI

InChI=1S/C29H38O9/c1-4-9-23-26(15-13-21(20(2)30)29(23)35-3)38-19-8-18-37-25-11-7-10-24(22(25)14-16-28(33)34)36-17-6-5-12-27(31)32/h7,10-11,13,15H,4-6,8-9,12,14,16-19H2,1-3H3,(H,31,32)(H,33,34)