1-(2-methylpropyl)-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]indole-2-carboxylic acid

Systemtic Name: 1-(2-methylpropyl)-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]indole-2-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[4-(2-naphthyl)-1-piperidyl]propoxy]-1-isobutyl-indole-2-carboxylic acid CAS Name: 4-[2-hydroxy-3-[4-(2-naphthalenyl)-1-piperidinyl]propoxy]-1-(2-methylpropyl)-2-indolecarboxylic acid IUPAC Name: 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-(2-methylpropyl)indole-2-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[4-(2-naphthyl)piperidino]propoxy]-1-isobutyl-indole-2-carboxylic acid Formula: C31H36N2O4 MolecularWeight: 500.62854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C1C(=O)O)C(=CC=C2)OCC(CN3CCC(CC3)C4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CC(C)CN1C2=C(C=C1C(=O)O)C(=CC=C2)OCC(CN3CCC(CC3)C4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C31H36N2O4/c1-21(2)18-33-28-8-5-9-30(27(28)17-29(33)31(35)36)37-20-26(34)19-32-14-12-23(13-15-32)25-11-10-22-6-3-4-7-24(22)16-25/h3-11,16-17,21,23,26,34H,12-15,18-20H2,1-2H3,(H,35,36)