3-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid

Systemtic Name: 3-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Openeye Name: 3-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid CAS Name: 3-[[3-(1-imidazolyl)propylamino]-oxomethyl]benzoic acid IUPAC Name: 3-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Traditional Name: 3-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C14H15N3O3/c18-13(11-3-1-4-12(9-11)14(19)20)16-5-2-7-17-8-6-15-10-17/h1,3-4,6,8-10H,2,5,7H2,(H,16,18)(H,19,20)