4-[2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]piperidin-1-yl]butanoic acid

Systemtic Name: 4-[2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]piperidin-1-yl]butanoic acid Openeye Name: 4-[2-[[4-[[4-(3-thienyl)phenyl]methyl]phenoxy]methyl]-1-piperidyl]butanoic acid CAS Name: 4-[2-[[4-[[4-(3-thiophenyl)phenyl]methyl]phenoxy]methyl]-1-piperidinyl]butanoic acid IUPAC Name: 4-[2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]piperidin-1-yl]butanoic acid Traditional Name: 4-[2-[[4-[4-(3-thienyl)benzyl]phenoxy]methyl]piperidino]butyric acid Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)C4=CSC=C4)CCCC(=O)O

Isomeric SMILES

C1CCN(C(C1)COC2=CC=C(C=C2)CC3=CC=C(C=C3)C4=CSC=C4)CCCC(=O)O

InChI

InChI=1S/C27H31NO3S/c29-27(30)5-3-16-28-15-2-1-4-25(28)19-31-26-12-8-22(9-13-26)18-21-6-10-23(11-7-21)24-14-17-32-20-24/h6-14,17,20,25H,1-5,15-16,18-19H2,(H,29,30)