tert-butyl 4-[(4-imidazol-1-ylphenyl)methyl]-3-oxidanylidene-2-(phenylmethoxymethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-imidazol-1-ylphenyl)methyl]-3-oxidanylidene-2-(phenylmethoxymethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxymethyl)-4-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[4-(1-imidazolyl)phenyl]methyl]-3-oxo-2-(phenylmethoxymethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-2-(phenylmethoxymethyl)piperazine-1-carboxylate Traditional Name: 2-(benzoxymethyl)-4-(4-imidazol-1-ylbenzyl)-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1COCC2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1COCC2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C27H32N4O4/c1-27(2,3)35-26(33)31-16-15-29(17-21-9-11-23(12-10-21)30-14-13-28-20-30)25(32)24(31)19-34-18-22-7-5-4-6-8-22/h4-14,20,24H,15-19H2,1-3H3