ethyl 1-[N'-[1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N-ethoxycarbonyl-carbamimidoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[N'-[1-[(4-cyano-1-methyl-piperidin-4-yl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N-ethoxycarbonyl-carbamimidoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[N'-[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-N-ethoxycarbonyl-carbamimidoyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(4-cyano-1-methyl-4-piperidinyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]imino-(ethoxycarbonylamino)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[N'-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-N-ethoxycarbonylcarbamimidoyl]piperidine-3-carboxylate Traditional Name: 1-[N-carbethoxy-N'-[2-[(4-cyano-1-methyl-4-piperidyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]amidino]nipecotic acid ethyl ester Formula: C28H46N6O5 MolecularWeight: 546.70204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=NC(CC2CCCCC2)C(=O)NC3(CCN(CC3)C)C#N)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=NC(CC2CCCCC2)C(=O)NC3(CCN(CC3)C)C#N)NC(=O)OCC

InChI

InChI=1S/C28H46N6O5/c1-4-38-25(36)22-12-9-15-34(19-22)26(31-27(37)39-5-2)30-23(18-21-10-7-6-8-11-21)24(35)32-28(20-29)13-16-33(3)17-14-28/h21-23H,4-19H2,1-3H3,(H,32,35)(H,30,31,37)