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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-phenyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-phenyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-phenyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-phenylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-3-methyl-5-phenyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C27H26ClNO2 MolecularWeight: 431.95384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C27H26ClNO2/c1-18-23-15-21(20-7-5-4-6-8-20)11-14-24(23)29(17-19-9-12-22(28)13-10-19)25(18)16-27(2,3)26(30)31/h4-15H,16-17H2,1-3H3,(H,30,31)