methyl 1-[2-cyclohexyl-2-[2-(1H-imidazol-5-yl)ethanoylamino]ethanoyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-cyclohexyl-2-[2-(1H-imidazol-5-yl)ethanoylamino]ethanoyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylate Openeye Name: methyl 4-(4-benzyloxybutoxy)-1-[2-cyclohexyl-2-[[2-(1H-imidazol-5-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-cyclohexyl-2-[[2-(1H-imidazol-5-yl)-1-oxoethyl]amino]-1-oxoethyl]-4-(4-phenylmethoxybutoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-cyclohexyl-2-[[2-(1H-imidazol-5-yl)acetyl]amino]acetyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylate Traditional Name: 4-(4-benzoxybutoxy)-1-[2-cyclohexyl-2-[[2-(1H-imidazol-5-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C30H42N4O6 MolecularWeight: 554.67768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CC3=CN=CN3)OCCCCOCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CC3=CN=CN3)OCCCCOCC4=CC=CC=C4

InChI

InChI=1S/C30H42N4O6/c1-38-30(37)26-17-25(40-15-9-8-14-39-20-22-10-4-2-5-11-22)19-34(26)29(36)28(23-12-6-3-7-13-23)33-27(35)16-24-18-31-21-32-24/h2,4-5,10-11,18,21,23,25-26,28H,3,6-9,12-17,19-20H2,1H3,(H,31,32)(H,33,35)