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

Systemtic Name: tert-butyl 4-[[3-(3-isocyanophenyl)-5-methyl-phenyl]methoxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(3-isocyanophenyl)-5-methyl-phenyl]methoxymethyl]piperidine-1-carboxylate CAS Name: 4-[[3-(3-isocyanophenyl)-5-methylphenyl]methoxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(3-isocyanophenyl)-5-methylphenyl]methoxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(3-isocyanophenyl)-5-methyl-benzyl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)[N+]#[C-])COCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)[N+]#[C-])COCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N2O3/c1-19-13-21(15-23(14-19)22-7-6-8-24(16-22)27-5)18-30-17-20-9-11-28(12-10-20)25(29)31-26(2,3)4/h6-8,13-16,20H,9-12,17-18H2,1-4H3