4-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid

Systemtic Name: 4-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Openeye Name: 4-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid CAS Name: 4-[[3-(1-imidazolyl)propylamino]-oxomethyl]benzoic acid IUPAC Name: 4-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Traditional Name: 4-(3-imidazol-1-ylpropylcarbamoyl)benzoic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3/c18-13(11-2-4-12(5-3-11)14(19)20)16-6-1-8-17-9-7-15-10-17/h2-5,7,9-10H,1,6,8H2,(H,16,18)(H,19,20)