tert-butyl 4-[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methoxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methoxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methoxymethyl]piperidine-1-carboxylate CAS Name: 4-[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methoxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methoxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[3-carbomethoxy-5-(3-cyanophenyl)benzyl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C27H32N2O5/c1-27(2,3)34-26(31)29-10-8-19(9-11-29)17-33-18-21-13-23(15-24(14-21)25(30)32-4)22-7-5-6-20(12-22)16-28/h5-7,12-15,19H,8-11,17-18H2,1-4H3