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

Systemtic Name: 2-[3-tert-butylsulfanyl-1-(cyclopropylmethyl)-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[3-tert-butylsulfanyl-1-(cyclopropylmethyl)-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-phenyl-propanoic acid CAS Name: 2-[3-(tert-butylthio)-1-(cyclopropylmethyl)-5-[(5-methyl-2-pyridinyl)methoxy]-2-indolyl]-3-phenylpropanoic acid IUPAC Name: 2-[3-tert-butylsulfanyl-1-(cyclopropylmethyl)-5-[(5-methylpyridin-2-yl)methoxy]indol-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[3-(tert-butylthio)-1-(cyclopropylmethyl)-5-[(5-methyl-2-pyridyl)methoxy]indol-2-yl]-3-phenyl-propionic acid Formula: C32H36N2O3S MolecularWeight: 528.70484

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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=CC=CC=C4)C(=O)O)CC5CC5

Isomeric SMILES

CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)C(CC4=CC=CC=C4)C(=O)O)CC5CC5

InChI

InChI=1S/C32H36N2O3S/c1-21-10-13-24(33-18-21)20-37-25-14-15-28-26(17-25)30(38-32(2,3)4)29(34(28)19-23-11-12-23)27(31(35)36)16-22-8-6-5-7-9-22/h5-10,13-15,17-18,23,27H,11-12,16,19-20H2,1-4H3,(H,35,36)