3-[4-[4-[4-(carboxymethyloxy)-3-(2-methylpropyl)phenyl]-3-(naphthalen-1-ylmethyl)phenyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-[4-(carboxymethyloxy)-3-(2-methylpropyl)phenyl]-3-(naphthalen-1-ylmethyl)phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[4-[4-(carboxymethyloxy)-3-isobutyl-phenyl]-3-(1-naphthylmethyl)phenyl]phenyl]propanoic acid CAS Name: 3-[4-[4-[4-(carboxymethyloxy)-3-(2-methylpropyl)phenyl]-3-(1-naphthalenylmethyl)phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[4-(carboxymethyloxy)-3-(2-methylpropyl)phenyl]-3-(naphthalen-1-ylmethyl)phenyl]phenyl]propanoic acid Traditional Name: 3-[4-[4-[4-(carboxymethyloxy)-3-isobutyl-phenyl]-3-(1-naphthylmethyl)phenyl]phenyl]propionic acid Formula: C38H36O5 MolecularWeight: 572.68944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CCC(=O)O)CC4=CC=CC5=CC=CC=C54)OCC(=O)O

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)CCC(=O)O)CC4=CC=CC5=CC=CC=C54)OCC(=O)O

InChI

InChI=1S/C38H36O5/c1-25(2)20-33-23-31(16-18-36(33)43-24-38(41)42)35-17-15-29(27-13-10-26(11-14-27)12-19-37(39)40)21-32(35)22-30-8-5-7-28-6-3-4-9-34(28)30/h3-11,13-18,21,23,25H,12,19-20,22,24H2,1-2H3,(H,39,40)(H,41,42)