tert-butyl 4-imidazol-1-ylcarbonyl-3-[[(E)-tetradec-4-enyl]amino]benzoate

Systemtic Name: tert-butyl 4-imidazol-1-ylcarbonyl-3-[[(E)-tetradec-4-enyl]amino]benzoate Openeye Name: tert-butyl 4-(imidazole-1-carbonyl)-3-[[(E)-tetradec-4-enyl]amino]benzoate CAS Name: 4-[1-imidazolyl(oxo)methyl]-3-[[(E)-tetradec-4-enyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(imidazole-1-carbonyl)-3-[[(E)-tetradec-4-enyl]amino]benzoate Traditional Name: 4-(imidazole-1-carbonyl)-3-[[(E)-tetradec-4-enyl]amino]benzoic acid tert-butyl ester Formula: C29H43N3O3 MolecularWeight: 481.67002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCCCNC1=C(C=CC(=C1)C(=O)OC(C)(C)C)C(=O)N2C=CN=C2

Isomeric SMILES

CCCCCCCCC/C=C/CCCNC1=C(C=CC(=C1)C(=O)OC(C)(C)C)C(=O)N2C=CN=C2

InChI

InChI=1S/C29H43N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-31-26-22-24(28(34)35-29(2,3)4)17-18-25(26)27(33)32-21-20-30-23-32/h13-14,17-18,20-23,31H,5-12,15-16,19H2,1-4H3/b14-13+