O4-tert-butyl O1-methyl 4-[(3-cyanophenyl)methyl]piperidine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-methyl 4-[(3-cyanophenyl)methyl]piperidine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-methyl 4-[(3-cyanophenyl)methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(3-cyanophenyl)methyl]piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl 4-[(3-cyanophenyl)methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-(3-cyanobenzyl)piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-methyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H26N2O4/c1-19(2,3)26-17(23)20(8-10-22(11-9-20)18(24)25-4)13-15-6-5-7-16(12-15)14-21/h5-7,12H,8-11,13H2,1-4H3