tert-butyl 2-(phenylmethoxymethyl)-4-quinolin-4-yl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(phenylmethoxymethyl)-4-quinolin-4-yl-piperazine-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxymethyl)-4-(4-quinolyl)piperazine-1-carboxylate CAS Name: 2-(phenylmethoxymethyl)-4-(4-quinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(phenylmethoxymethyl)-4-quinolin-4-ylpiperazine-1-carboxylate Traditional Name: 2-(benzoxymethyl)-4-(4-quinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1COCC2=CC=CC=C2)C3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1COCC2=CC=CC=C2)C3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C26H31N3O3/c1-26(2,3)32-25(30)29-16-15-28(24-13-14-27-23-12-8-7-11-22(23)24)17-21(29)19-31-18-20-9-5-4-6-10-20/h4-14,21H,15-19H2,1-3H3