2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]-1-piperidyl]ethylsulfanyl]acetic acid CAS Name: 2-[2-[4-[1-(2-ethoxyethyl)-3-indolyl]-1-piperidinyl]ethylthio]acetic acid IUPAC Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethylsulfanyl]acetic acid Traditional Name: 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidino]ethylthio]acetic acid Formula: C21H30N2O3S MolecularWeight: 390.5395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCSCC(=O)O

Isomeric SMILES

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCSCC(=O)O

InChI

InChI=1S/C21H30N2O3S/c1-2-26-13-11-23-15-19(18-5-3-4-6-20(18)23)17-7-9-22(10-8-17)12-14-27-16-21(24)25/h3-6,15,17H,2,7-14,16H2,1H3,(H,24,25)