O3-tert-butyl O1-methyl 5-[3-(4-cyanophenyl)-2-(1H-imidazol-5-yl)-2-methyl-propanoyl]piperidine-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-methyl 5-[3-(4-cyanophenyl)-2-(1H-imidazol-5-yl)-2-methyl-propanoyl]piperidine-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-methyl 5-[3-(4-cyanophenyl)-2-(1H-imidazol-5-yl)-2-methyl-propanoyl]piperidine-1,3-dicarboxylate CAS Name: 5-[3-(4-cyanophenyl)-2-(1H-imidazol-5-yl)-2-methyl-1-oxopropyl]piperidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 5-[3-(4-cyanophenyl)-2-(1H-imidazol-5-yl)-2-methylpropanoyl]piperidine-1,3-dicarboxylate Traditional Name: 5-[3-(4-cyanophenyl)-2-(1H-imidazol-5-yl)-2-methyl-propanoyl]piperidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(CN(C1)C(=O)OC)C(=O)C(C)(CC2=CC=C(C=C2)C#N)C3=CN=CN3

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(CN(C1)C(=O)OC)C(=O)C(C)(CC2=CC=C(C=C2)C#N)C3=CN=CN3

InChI

InChI=1S/C26H32N4O5/c1-25(2,3)35-23(32)20-10-19(14-30(15-20)24(33)34-5)22(31)26(4,21-13-28-16-29-21)11-17-6-8-18(12-27)9-7-17/h6-9,13,16,19-20H,10-11,14-15H2,1-5H3,(H,28,29)