3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridyl]phenyl]propanoic acid CAS Name: 3-[3-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]phenyl]propanoic acid IUPAC Name: 3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]phenyl]propanoic acid Traditional Name: 3-[3-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridyl]phenyl]propionic acid Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=CC(=N2)C3=CC(=CC=C3)CCC(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=CC=CC(=N2)C3=CC(=CC=C3)CCC(=O)O

InChI

InChI=1S/C20H25N3O2/c1-22-11-4-12-23(14-13-22)19-8-3-7-18(21-19)17-6-2-5-16(15-17)9-10-20(24)25/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,25)