5-chloranyl-3-[[3-(3-methoxyphenyl)-3-oxidanyl-piperidin-1-yl]methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[[3-(3-methoxyphenyl)-3-oxidanyl-piperidin-1-yl]methyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)-1-piperidyl]methyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)-1-piperidinyl]methyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]methyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[[3-hydroxy-3-(3-methoxyphenyl)piperidino]methyl]-1H-indole-2-carboxylic acid Formula: C22H23ClN2O4 MolecularWeight: 414.88202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCCN(C2)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCCN(C2)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O)O

InChI

InChI=1S/C22H23ClN2O4/c1-29-16-5-2-4-14(10-16)22(28)8-3-9-25(13-22)12-18-17-11-15(23)6-7-19(17)24-20(18)21(26)27/h2,4-7,10-11,24,28H,3,8-9,12-13H2,1H3,(H,26,27)