4-[4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]-1-oxidanyl-ethyl]phenoxy]butanoic acid Openeye Name: 4-[4-[1-hydroxy-2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]phenoxy]butanoic acid CAS Name: 4-[4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]phenoxy]butanoic acid Traditional Name: 4-[4-[1-hydroxy-2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]phenoxy]butyric acid Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)OCCCC(=O)O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)OCCCC(=O)O)O

InChI

InChI=1S/C22H29NO5/c1-16(4-5-17-6-10-19(24)11-7-17)23-15-21(25)18-8-12-20(13-9-18)28-14-2-3-22(26)27/h6-13,16,21,23-25H,2-5,14-15H2,1H3,(H,26,27)