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

Systemtic Name: 3-[5-tert-butyl-1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[5-tert-butyl-1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[5-tert-butyl-1-[(4-chlorophenyl)methyl]-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[5-tert-butyl-1-[(4-chlorophenyl)methyl]-3-methylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[5-tert-butyl-1-(4-chlorobenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C25H30ClNO2 MolecularWeight: 411.9642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(C)(C)C)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(C)(C)C)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C25H30ClNO2/c1-16-20-13-18(24(2,3)4)9-12-21(20)27(15-17-7-10-19(26)11-8-17)22(16)14-25(5,6)23(28)29/h7-13H,14-15H2,1-6H3,(H,28,29)