cyclopentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: cyclopentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: cyclopentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidyl]acetic acid cyclopentyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CC2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(C1)OC(=O)CC2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H36N4O3/c26-24(27)19-5-7-21(8-6-19)28-15-11-20(12-16-28)25(31)29-13-9-18(10-14-29)17-23(30)32-22-3-1-2-4-22/h5-8,18,20,22H,1-4,9-17H2,(H3,26,27)