1H-imidazol-5-yl 3-aminocarbonyl-4-octanoyl-benzoate

Systemtic Name: 1H-imidazol-5-yl 3-aminocarbonyl-4-octanoyl-benzoate Openeye Name: 1H-imidazol-5-yl 3-carbamoyl-4-octanoyl-benzoate CAS Name: 3-carbamoyl-4-(1-oxooctyl)benzoic acid 1H-imidazol-5-yl ester IUPAC Name: 1H-imidazol-5-yl 3-carbamoyl-4-octanoylbenzoate Traditional Name: 4-caprylyl-3-carbamoyl-benzoic acid 1H-imidazol-5-yl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C(C=C(C=C1)C(=O)OC2=CN=CN2)C(=O)N

Isomeric SMILES

CCCCCCCC(=O)C1=C(C=C(C=C1)C(=O)OC2=CN=CN2)C(=O)N

InChI

InChI=1S/C19H23N3O4/c1-2-3-4-5-6-7-16(23)14-9-8-13(10-15(14)18(20)24)19(25)26-17-11-21-12-22-17/h8-12H,2-7H2,1H3,(H2,20,24)(H,21,22)