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

Systemtic Name: (2-ethoxyphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (2-ethoxyphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-cyanophenyl)methyl]-2-methyl-4-imidazolyl]methyl]-1-piperazinecarboxylic acid (2-ethoxyphenyl)methyl ester IUPAC Name: (2-ethoxyphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(4-cyanobenzyl)-2-methyl-imidazol-4-yl]methyl]piperazine-1-carboxylic acid (2-ethoxybenzyl) ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1COC(=O)N2CCN(CC2)CC3=CN=C(N3CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC1=CC=CC=C1COC(=O)N2CCN(CC2)CC3=CN=C(N3CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H31N5O3/c1-3-34-26-7-5-4-6-24(26)20-35-27(33)31-14-12-30(13-15-31)19-25-17-29-21(2)32(25)18-23-10-8-22(16-28)9-11-23/h4-11,17H,3,12-15,18-20H2,1-2H3