methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-2-phenyl-ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-2-phenyl-ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-2-phenyl-acetyl]piperidine-4-carboxylate CAS Name: 4-cyclohexyl-1-[2-[[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]amino]-1-oxo-2-phenylethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-2-phenylacetyl]piperidine-4-carboxylate Traditional Name: 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-2-phenyl-acetyl]isonipecotic acid methyl ester Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C(C2=CC=CC=C2)NC(=O)NCCC3=CN=CN3)C4CCCCC4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C(C2=CC=CC=C2)NC(=O)NCCC3=CN=CN3)C4CCCCC4

InChI

InChI=1S/C27H37N5O4/c1-36-25(34)27(21-10-6-3-7-11-21)13-16-32(17-14-27)24(33)23(20-8-4-2-5-9-20)31-26(35)29-15-12-22-18-28-19-30-22/h2,4-5,8-9,18-19,21,23H,3,6-7,10-17H2,1H3,(H,28,30)(H2,29,31,35)