2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridinyl)methoxy]-2-indolyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-methyl-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-methyl-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-(2-naphthyl)propionic acid Formula: C33H34N2O3S MolecularWeight: 538.69966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)C(CC4=CC5=CC=CC=C5C=C4)C(=O)O)C

Isomeric SMILES

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)C(CC4=CC5=CC=CC=C5C=C4)C(=O)O)C

InChI

InChI=1S/C33H34N2O3S/c1-21-10-13-25(34-19-21)20-38-26-14-15-29-27(18-26)31(39-33(2,3)4)30(35(29)5)28(32(36)37)17-22-11-12-23-8-6-7-9-24(23)16-22/h6-16,18-19,28H,17,20H2,1-5H3,(H,36,37)