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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-hydroxy-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-hydroxyindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-hydroxy-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)O)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C20H20ClNO3/c1-20(2,19(24)25)11-16-9-14-10-17(23)7-8-18(14)22(16)12-13-3-5-15(21)6-4-13/h3-10,23H,11-12H2,1-2H3,(H,24,25)