4-[1-(cyclohexylmethyl)indol-3-yl]-2-ethoxy-3-piperidin-1-yl-benzoic acid

Systemtic Name: 4-[1-(cyclohexylmethyl)indol-3-yl]-2-ethoxy-3-piperidin-1-yl-benzoic acid Openeye Name: 4-[1-(cyclohexylmethyl)indol-3-yl]-2-ethoxy-3-(1-piperidyl)benzoic acid CAS Name: 4-[1-(cyclohexylmethyl)-3-indolyl]-2-ethoxy-3-(1-piperidinyl)benzoic acid IUPAC Name: 4-[1-(cyclohexylmethyl)indol-3-yl]-2-ethoxy-3-piperidin-1-ylbenzoic acid Traditional Name: 4-[1-(cyclohexylmethyl)indol-3-yl]-2-ethoxy-3-piperidino-benzoic acid Formula: C29H36N2O3 MolecularWeight: 460.60774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC5CCCCC5)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC5CCCCC5)C(=O)O

InChI

InChI=1S/C29H36N2O3/c1-2-34-28-24(29(32)33)16-15-23(27(28)30-17-9-4-10-18-30)25-20-31(19-21-11-5-3-6-12-21)26-14-8-7-13-22(25)26/h7-8,13-16,20-21H,2-6,9-12,17-19H2,1H3,(H,32,33)