tert-butyl 4-[acetyloxy-[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[acetyloxy-[1-[4-(4-cyanophenyl)-2-methyl-4-oxidanylidene-butanoyl]piperidin-4-yl]oxy-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[acetoxy-[[1-[4-(4-cyanophenyl)-2-methyl-4-oxo-butanoyl]-4-piperidyl]oxy]methyl]piperidine-1-carboxylate CAS Name: 4-[acetyloxy-[[1-[4-(4-cyanophenyl)-2-methyl-1,4-dioxobutyl]-4-piperidinyl]oxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[acetyloxy-[1-[4-(4-cyanophenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[acetoxy-[[1-[4-(4-cyanophenyl)-4-keto-2-methyl-butanoyl]-4-piperidyl]oxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H41N3O7 MolecularWeight: 555.66244

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OC(C3CCN(CC3)C(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)C#N)C(=O)N2CCC(CC2)OC(C3CCN(CC3)C(=O)OC(C)(C)C)OC(=O)C

InChI

InChI=1S/C30H41N3O7/c1-20(18-26(35)23-8-6-22(19-31)7-9-23)27(36)32-16-12-25(13-17-32)39-28(38-21(2)34)24-10-14-33(15-11-24)29(37)40-30(3,4)5/h6-9,20,24-25,28H,10-18H2,1-5H3