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

Systemtic Name: (3-ethoxyphenyl)methyl 4-[[3-[(4-cyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]piperazine-1-carboxylate Openeye Name: (3-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 (3-ethoxyphenyl)methyl ester IUPAC Name: (3-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 (3-ethoxybenzyl) ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)COC(=O)N2CCN(CC2)CC3=CN=C(N3CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC1=CC=CC(=C1)COC(=O)N2CCN(CC2)CC3=CN=C(N3CC4=CC=C(C=C4)C#N)C

InChI

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