(2-tert-butylcyclohexyl)methyl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (2-tert-butylcyclohexyl)methyl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (2-tert-butylcyclohexyl)methyl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (2-tert-butylcyclohexyl)methyl ester IUPAC Name: (2-tert-butylcyclohexyl)methyl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazine-1-carboxylic acid (2-tert-butylcyclohexyl)methyl ester Formula: C28H39N5O2 MolecularWeight: 477.64156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCCC1COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

Isomeric SMILES

CC(C)(C)C1CCCCC1COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

InChI

InChI=1S/C28H39N5O2/c1-28(2,3)26-8-6-5-7-23(26)20-35-27(34)32-15-13-31(14-16-32)19-25-17-30-21-33(25)18-22-9-11-24(29-4)12-10-22/h9-12,17,21,23,26H,5-8,13-16,18-20H2,1-3H3