2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: [2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidyl]acetyl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]-1-oxoethoxy]methyl ester IUPAC Name: [2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-yl]acetyl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidyl]acetyl]oxymethyl ester Formula: C26H38N4O5 MolecularWeight: 486.60372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)CC1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H38N4O5/c1-26(2,3)25(33)35-17-34-22(31)16-18-8-12-30(13-9-18)24(32)20-10-14-29(15-11-20)21-6-4-19(5-7-21)23(27)28/h4-7,18,20H,8-17H2,1-3H3,(H3,27,28)