3-[[4-[1-[(3-methyloxetan-3-yl)methyl]indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[1-[(3-methyloxetan-3-yl)methyl]indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-[(3-methyloxetan-3-yl)methyl]indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-[(3-methyl-3-oxetanyl)methyl]-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-[(3-methyloxetan-3-yl)methyl]indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-[(3-methyloxetan-3-yl)methyl]indol-3-yl]piperidino]methyl]benzoic acid Formula: C26H30N2O3 MolecularWeight: 418.528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC1)CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC1(COC1)CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H30N2O3/c1-26(17-31-18-26)16-28-15-23(22-7-2-3-8-24(22)28)20-9-11-27(12-10-20)14-19-5-4-6-21(13-19)25(29)30/h2-8,13,15,20H,9-12,14,16-18H2,1H3,(H,29,30)