tert-butyl 4-butyl-2-(phenylmethoxycarbonylaminomethyl)imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-butyl-2-(phenylmethoxycarbonylaminomethyl)imidazole-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxycarbonylaminomethyl)-4-butyl-imidazole-1-carboxylate CAS Name: 4-butyl-2-(phenylmethoxycarbonylaminomethyl)-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-butyl-2-(phenylmethoxycarbonylaminomethyl)imidazole-1-carboxylate Traditional Name: 2-(benzyloxycarbonylaminomethyl)-4-butyl-imidazole-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=N1)CNC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CN(C(=N1)CNC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O4/c1-5-6-12-17-14-24(20(26)28-21(2,3)4)18(23-17)13-22-19(25)27-15-16-10-8-7-9-11-16/h7-11,14H,5-6,12-13,15H2,1-4H3,(H,22,25)