2-azanyl-3-(1H-imidazol-5-ylcarbonyl)-4-[(E)-oct-2-enyl]benzoic acid

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-ylcarbonyl)-4-[(E)-oct-2-enyl]benzoic acid Openeye Name: 2-amino-3-(1H-imidazole-5-carbonyl)-4-[(E)-oct-2-enyl]benzoic acid CAS Name: 2-amino-3-[1H-imidazol-5-yl(oxo)methyl]-4-[(E)-oct-2-enyl]benzoic acid IUPAC Name: 2-amino-3-(1H-imidazole-5-carbonyl)-4-[(E)-oct-2-enyl]benzoic acid Traditional Name: 2-amino-3-(1H-imidazole-5-carbonyl)-4-[(E)-oct-2-enyl]benzoic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC1=C(C(=C(C=C1)C(=O)O)N)C(=O)C2=CN=CN2

Isomeric SMILES

CCCCC/C=C/CC1=C(C(=C(C=C1)C(=O)O)N)C(=O)C2=CN=CN2

InChI

InChI=1S/C19H23N3O3/c1-2-3-4-5-6-7-8-13-9-10-14(19(24)25)17(20)16(13)18(23)15-11-21-12-22-15/h6-7,9-12H,2-5,8,20H2,1H3,(H,21,22)(H,24,25)/b7-6+