3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-isopropyl-4,6-dimethyl-3-phenylsulfanyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-(phenylthio)-5-propan-2-yl-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-phenylsulfanyl-5-propan-2-ylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-isopropyl-4,6-dimethyl-3-(phenylthio)indol-2-yl]propionic acid Formula: C29H30ClNO2S MolecularWeight: 492.072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C29H30ClNO2S/c1-18(2)27-19(3)16-25-28(20(27)4)29(34-23-8-6-5-7-9-23)24(14-15-26(32)33)31(25)17-21-10-12-22(30)13-11-21/h5-13,16,18H,14-15,17H2,1-4H3,(H,32,33)