tert-butyl 4-[[[3-(3-isocyanophenyl)-5-methyl-phenyl]methylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[3-(3-isocyanophenyl)-5-methyl-phenyl]methylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[3-(3-isocyanophenyl)-5-methyl-phenyl]methylamino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[3-(3-isocyanophenyl)-5-methylphenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[3-(3-isocyanophenyl)-5-methylphenyl]methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[3-(3-isocyanophenyl)-5-methyl-benzyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H33N3O2 MolecularWeight: 419.55912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)[N+]#[C-])CNCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)[N+]#[C-])CNCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N3O2/c1-19-13-21(15-23(14-19)22-7-6-8-24(16-22)27-5)18-28-17-20-9-11-29(12-10-20)25(30)31-26(2,3)4/h6-8,13-16,20,28H,9-12,17-18H2,1-4H3