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

Systemtic Name: 2-[2-[4-[1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(3-thienylmethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(3-thiophenylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(3-thenyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CSC=C4)CCOC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CSC=C4)CCOC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H28N2O3S/c30-27(31)23-6-2-4-8-26(23)32-15-14-28-12-9-21(10-13-28)24-18-29(17-20-11-16-33-19-20)25-7-3-1-5-22(24)25/h1-8,11,16,18-19,21H,9-10,12-15,17H2,(H,30,31)