3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-(1,3-dioxolan-2-ylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-(1,3-dioxolan-2-ylmethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4OCCO4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4OCCO4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H28N2O4/c28-25(29)20-5-3-4-18(14-20)15-26-10-8-19(9-11-26)22-16-27(17-24-30-12-13-31-24)23-7-2-1-6-21(22)23/h1-7,14,16,19,24H,8-13,15,17H2,(H,28,29)