2-(4-pyridin-3-ylbutylcarbamoyl)benzoic acid

Systemtic Name: 2-(4-pyridin-3-ylbutylcarbamoyl)benzoic acid Openeye Name: 2-[4-(3-pyridyl)butylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[4-(3-pyridinyl)butylamino]methyl]benzoic acid IUPAC Name: 2-(4-pyridin-3-ylbutylcarbamoyl)benzoic acid Traditional Name: 2-[4-(3-pyridyl)butylcarbamoyl]benzoic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCCC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C17H18N2O3/c20-16(14-8-1-2-9-15(14)17(21)22)19-11-4-3-6-13-7-5-10-18-12-13/h1-2,5,7-10,12H,3-4,6,11H2,(H,19,20)(H,21,22)