3-(pyridin-4-ylcarbonylamino)propyl benzoate hydrochloride

Systemtic Name: 3-(pyridin-4-ylcarbonylamino)propyl benzoate hydrochloride Openeye Name: 3-(pyridine-4-carbonylamino)propyl benzoate hydrochloride CAS Name: benzoic acid 3-[[oxo(pyridin-4-yl)methyl]amino]propyl ester hydrochloride IUPAC Name: 3-(pyridine-4-carbonylamino)propyl benzoate hydrochloride Traditional Name: benzoic acid 3-isonicotinamidopropyl ester hydrochloride Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCNC(=O)C2=CC=NC=C2.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCNC(=O)C2=CC=NC=C2.Cl

InChI

InChI=1S/C16H16N2O3.ClH/c19-15(13-7-10-17-11-8-13)18-9-4-12-21-16(20)14-5-2-1-3-6-14;/h1-3,5-8,10-11H,4,9,12H2,(H,18,19);1H