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

Systemtic Name: 4-[[2-[2-(2-piperidin-1-ylphenyl)pentyl]-1,3-dioxolan-2-yl]methyl]benzoic acid Openeye Name: 4-[[2-[2-[2-(1-piperidyl)phenyl]pentyl]-1,3-dioxolan-2-yl]methyl]benzoic acid CAS Name: 4-[[2-[2-[2-(1-piperidinyl)phenyl]pentyl]-1,3-dioxolan-2-yl]methyl]benzoic acid IUPAC Name: 4-[[2-[2-(2-piperidin-1-ylphenyl)pentyl]-1,3-dioxolan-2-yl]methyl]benzoic acid Traditional Name: 4-[[2-[2-(2-piperidinophenyl)pentyl]-1,3-dioxolan-2-yl]methyl]benzoic acid Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(OCCO1)CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CCCC(CC1(OCCO1)CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C27H35NO4/c1-2-8-23(24-9-4-5-10-25(24)28-15-6-3-7-16-28)20-27(31-17-18-32-27)19-21-11-13-22(14-12-21)26(29)30/h4-5,9-14,23H,2-3,6-8,15-20H2,1H3,(H,29,30)