tert-butyl 17-[[4-(1H-imidazol-2-ylcarbonyl)phenyl]amino]heptadecanoate

Systemtic Name: tert-butyl 17-[[4-(1H-imidazol-2-ylcarbonyl)phenyl]amino]heptadecanoate Openeye Name: tert-butyl 17-[4-(1H-imidazole-2-carbonyl)anilino]heptadecanoate CAS Name: 17-[4-[1H-imidazol-2-yl(oxo)methyl]anilino]heptadecanoic acid tert-butyl ester IUPAC Name: tert-butyl 17-[4-(1H-imidazole-2-carbonyl)anilino]heptadecanoate Traditional Name: 17-[4-(1H-imidazole-2-carbonyl)anilino]heptadecanoic acid tert-butyl ester Formula: C31H49N3O3 MolecularWeight: 511.73906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C2=NC=CN2

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C2=NC=CN2

InChI

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