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

Systemtic Name: 4-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]butanoic acid Openeye Name: 4-[1-[(4-chlorophenyl)methyl]-5-isopropyl-4,6-dimethyl-3-phenylsulfanyl-indol-2-yl]butanoic acid CAS Name: 4-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-(phenylthio)-5-propan-2-yl-2-indolyl]butanoic acid IUPAC Name: 4-[1-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-phenylsulfanyl-5-propan-2-ylindol-2-yl]butanoic acid Traditional Name: 4-[1-(4-chlorobenzyl)-5-isopropyl-4,6-dimethyl-3-(phenylthio)indol-2-yl]butyric acid Formula: C30H32ClNO2S MolecularWeight: 506.09858

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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)CCCC(=O)O)SC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H32ClNO2S/c1-19(2)28-20(3)17-26-29(21(28)4)30(35-24-9-6-5-7-10-24)25(11-8-12-27(33)34)32(26)18-22-13-15-23(31)16-14-22/h5-7,9-10,13-17,19H,8,11-12,18H2,1-4H3,(H,33,34)