tert-butyl 2-[4-(hexadecylamino)phenyl]carbonylimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(hexadecylamino)phenyl]carbonylimidazole-1-carboxylate Openeye Name: tert-butyl 2-[4-(hexadecylamino)benzoyl]imidazole-1-carboxylate CAS Name: 2-[[4-(hexadecylamino)phenyl]-oxomethyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(hexadecylamino)benzoyl]imidazole-1-carboxylate Traditional Name: 2-[4-(cetylamino)benzoyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C31H49N3O3 MolecularWeight: 511.73906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C2=NC=CN2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C2=NC=CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C31H49N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-27-21-19-26(20-22-27)28(35)29-33-24-25-34(29)30(36)37-31(2,3)4/h19-22,24-25,32H,5-18,23H2,1-4H3