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

Systemtic Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)piperidin-4-yl]propanoic acid Openeye Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)-4-piperidyl]propanoic acid CAS Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)-4-piperidinyl]propanoic acid IUPAC Name: 2-[1-carbamimidoyl-2-(4-cyanophenyl)piperidin-4-yl]propanoic acid Traditional Name: 2-[1-amidino-2-(4-cyanophenyl)-4-piperidyl]propionic acid Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c1-10(15(21)22)13-6-7-20(16(18)19)14(8-13)12-4-2-11(9-17)3-5-12/h2-5,10,13-14H,6-8H2,1H3,(H3,18,19)(H,21,22)