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

Systemtic Name: 2-[2-[4-[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(1,3-benzodioxol-5-ylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-(1-piperonylindol-3-yl)piperidino]ethoxy]benzoic acid Formula: C30H30N2O5 MolecularWeight: 498.5696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5)CCOC6=CC=CC=C6C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5)CCOC6=CC=CC=C6C(=O)O

InChI

InChI=1S/C30H30N2O5/c33-30(34)24-6-2-4-8-27(24)35-16-15-31-13-11-22(12-14-31)25-19-32(26-7-3-1-5-23(25)26)18-21-9-10-28-29(17-21)37-20-36-28/h1-10,17,19,22H,11-16,18,20H2,(H,33,34)