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

Systemtic Name: (2-ethoxyphenyl)methyl 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (2-ethoxyphenyl)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-ethoxyphenyl)methyl ester IUPAC Name: (2-ethoxyphenyl)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-ethoxybenzyl) ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)N2CCN(CC2)CC3=CN=CN3CC4=CC=C(C=C4)[N+]#[C-]

InChI

InChI=1S/C26H29N5O3/c1-3-33-25-7-5-4-6-22(25)19-34-26(32)30-14-12-29(13-15-30)18-24-16-28-20-31(24)17-21-8-10-23(27-2)11-9-21/h4-11,16,20H,3,12-15,17-19H2,1H3