methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate CAS Name: 4-cyclohexyl-1-[2-[[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]isonipecotic acid methyl ester Formula: C29H41N5O5 MolecularWeight: 539.66634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N2CCC(CC2)(C3CCCCC3)C(=O)OC)NC(=O)NCCC4=CN=CN4

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)N2CCC(CC2)(C3CCCCC3)C(=O)OC)NC(=O)NCCC4=CN=CN4

InChI

InChI=1S/C29H41N5O5/c1-38-24-10-8-21(9-11-24)18-25(33-28(37)31-15-12-23-19-30-20-32-23)26(35)34-16-13-29(14-17-34,27(36)39-2)22-6-4-3-5-7-22/h8-11,19-20,22,25H,3-7,12-18H2,1-2H3,(H,30,32)(H2,31,33,37)