3-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid CAS Name: 3-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid IUPAC Name: 3-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[4-(4-chlorophenyl)-4-hydroxy-piperidino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid Formula: C23H25ClN2O3 MolecularWeight: 412.9092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C2CN3CCC(CC3)(C4=CC=C(C=C4)Cl)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C2CN3CCC(CC3)(C4=CC=C(C=C4)Cl)O)C(=O)O)C

InChI

InChI=1S/C23H25ClN2O3/c1-14-11-15(2)20-18(21(22(27)28)25-19(20)12-14)13-26-9-7-23(29,8-10-26)16-3-5-17(24)6-4-16/h3-6,11-12,25,29H,7-10,13H2,1-2H3,(H,27,28)