3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(3-phenylsulfanylpiperidin-3-yl)methylamino]propanoic acid

Systemtic Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(3-phenylsulfanylpiperidin-3-yl)methylamino]propanoic acid Openeye Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(3-phenylsulfanyl-3-piperidyl)methylamino]propanoic acid CAS Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[3-(phenylthio)-3-piperidinyl]methylamino]propanoic acid IUPAC Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(3-phenylsulfanylpiperidin-3-yl)methylamino]propanoic acid Traditional Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[[3-(phenylthio)-3-piperidyl]methylamino]propionic acid Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NCC3(CCCNC3)SC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NCC3(CCCNC3)SC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O4S/c1-34-25-10-6-11-26(35-2)27(25)22-14-12-21(13-15-22)18-24(28(32)33)31-20-29(16-7-17-30-19-29)36-23-8-4-3-5-9-23/h3-6,8-15,24,30-31H,7,16-20H2,1-2H3,(H,32,33)