O1-tert-butyl O4-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] piperidine-1,4-dicarboxylate CAS Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 4-O-[2-[4-(cyanomethyl)anilino]-2-oxoethyl] piperidine-1,4-dicarboxylate Traditional Name: piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-[2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(27)24-12-9-16(10-13-24)19(26)28-14-18(25)23-17-6-4-15(5-7-17)8-11-22/h4-7,16H,8-10,12-14H2,1-3H3,(H,23,25)