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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-3-methylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C21H22ClNO2 MolecularWeight: 355.85788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)O

InChI

InChI=1S/C21H22ClNO2/c1-14-17-6-4-5-7-18(17)23(13-15-8-10-16(22)11-9-15)19(14)12-21(2,3)20(24)25/h4-11H,12-13H2,1-3H3,(H,24,25)