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

Systemtic Name: (2-ethoxyphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (2-ethoxyphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (2-ethoxyphenyl)methyl ester IUPAC Name: (2-ethoxyphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-cyanobenzyl)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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-2-33-25-6-4-3-5-23(25)19-34-26(32)30-13-11-29(12-14-30)18-24-16-28-20-31(24)17-22-9-7-21(15-27)8-10-22/h3-10,16,20H,2,11-14,17-19H2,1H3