2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidyl]acetic acid Formula: C20H28N4O3 MolecularWeight: 372.46132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H28N4O3/c21-19(22)15-1-3-17(4-2-15)23-11-7-16(8-12-23)20(27)24-9-5-14(6-10-24)13-18(25)26/h1-4,14,16H,5-13H2,(H3,21,22)(H,25,26)