4-[4-[(4-dimethylaminophenyl)-(4-methoxyphenyl)-oxidanyl-methyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[(4-dimethylaminophenyl)-(4-methoxyphenyl)-oxidanyl-methyl]phenoxy]butanoic acid Openeye Name: 4-[4-[(4-dimethylaminophenyl)-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoic acid CAS Name: 4-[4-[(4-dimethylaminophenyl)-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[(4-dimethylaminophenyl)-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoic acid Traditional Name: 4-[4-[(4-dimethylaminophenyl)-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butyric acid Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OCCCC(=O)O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OCCCC(=O)O)O

InChI

InChI=1S/C26H29NO5/c1-27(2)22-12-6-19(7-13-22)26(30,20-8-14-23(31-3)15-9-20)21-10-16-24(17-11-21)32-18-4-5-25(28)29/h6-17,30H,4-5,18H2,1-3H3,(H,28,29)