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

Systemtic Name: 2-[2-[4-[5-methoxy-1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[5-methoxy-1-(3-thienylmethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[5-methoxy-1-(3-thiophenylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[5-methoxy-1-(thiophen-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[5-methoxy-1-(3-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=CSC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O)CC5=CSC=C5

InChI

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