2-[2-[4-[5-methoxy-1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[5-methoxy-1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[5-methoxy-1-(2-thienylmethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[5-methoxy-1-(thiophen-2-ylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[5-methoxy-1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[5-methoxy-1-(2-thenyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O)CC5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O)CC5=CC=CS5

InChI

InChI=1S/C28H30N2O4S/c1-33-21-8-9-26-24(17-21)25(19-30(26)18-22-5-4-16-35-22)20-10-12-29(13-11-20)14-15-34-27-7-3-2-6-23(27)28(31)32/h2-9,16-17,19-20H,10-15,18H2,1H3,(H,31,32)