2-[1-carbamimidoyl-2-(4-ethanoylphenyl)piperidin-4-yl]propanoic acid

Systemtic Name: 2-[1-carbamimidoyl-2-(4-ethanoylphenyl)piperidin-4-yl]propanoic acid Openeye Name: 2-[2-(4-acetylphenyl)-1-carbamimidoyl-4-piperidyl]propanoic acid CAS Name: 2-[2-(4-acetylphenyl)-1-carbamimidoyl-4-piperidinyl]propanoic acid IUPAC Name: 2-[2-(4-acetylphenyl)-1-carbamimidoylpiperidin-4-yl]propanoic acid Traditional Name: 2-[2-(4-acetylphenyl)-1-amidino-4-piperidyl]propionic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=C(C=C2)C(=O)C)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=C(C=C2)C(=O)C)C(=N)N)C(=O)O

InChI

InChI=1S/C17H23N3O3/c1-10(16(22)23)14-7-8-20(17(18)19)15(9-14)13-5-3-12(4-6-13)11(2)21/h3-6,10,14-15H,7-9H2,1-2H3,(H3,18,19)(H,22,23)