2-[2-[4-(1-prop-2-ynylindol-3-yl)piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-(1-prop-2-ynylindol-3-yl)piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-(1-prop-2-ynylindol-3-yl)-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-(1-prop-2-ynyl-3-indolyl)-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-(1-prop-2-ynylindol-3-yl)piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-(1-propargylindol-3-yl)piperidino]ethoxy]benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H26N2O3/c1-2-13-27-18-22(20-7-3-5-9-23(20)27)19-11-14-26(15-12-19)16-17-30-24-10-6-4-8-21(24)25(28)29/h1,3-10,18-19H,11-17H2,(H,28,29)