2-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoic acid

Systemtic Name: 2-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoic acid Openeye Name: 2-[[(1-ethanimidoyl-4-piperidyl)methylamino]methyl]benzoic acid CAS Name: 2-[[[1-(1-iminoethyl)-4-piperidinyl]methylamino]methyl]benzoic acid IUPAC Name: 2-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoic acid Traditional Name: 2-[[(1-acetimidoyl-4-piperidyl)methylamino]methyl]benzoic acid Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)CNCC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)CNCC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H23N3O2/c1-12(17)19-8-6-13(7-9-19)10-18-11-14-4-2-3-5-15(14)16(20)21/h2-5,13,17-18H,6-11H2,1H3,(H,20,21)