3-[4-[(3-butoxyphenyl)methoxy]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-butoxyphenyl)methoxy]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[(3-butoxyphenyl)methoxy]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[(3-butoxyphenyl)methoxy]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[(3-butoxyphenyl)methoxy]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-(3-butoxybenzyl)oxy-3-methyl-phenyl]propionic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)COC2=C(C=C(C=C2)CCC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)COC2=C(C=C(C=C2)CCC(=O)O)C

InChI

InChI=1S/C21H26O4/c1-3-4-12-24-19-7-5-6-18(14-19)15-25-20-10-8-17(13-16(20)2)9-11-21(22)23/h5-8,10,13-14H,3-4,9,11-12,15H2,1-2H3,(H,22,23)