3-(pyridin-4-ylcarbonylamino)propyl 2-chloranylbenzoate hydrochloride

Systemtic Name: 3-(pyridin-4-ylcarbonylamino)propyl 2-chloranylbenzoate hydrochloride Openeye Name: 3-(pyridine-4-carbonylamino)propyl 2-chlorobenzoate hydrochloride CAS Name: 2-chlorobenzoic acid 3-[[oxo(pyridin-4-yl)methyl]amino]propyl ester hydrochloride IUPAC Name: 3-(pyridine-4-carbonylamino)propyl 2-chlorobenzoate hydrochloride Traditional Name: 2-chlorobenzoic acid 3-isonicotinamidopropyl ester hydrochloride Formula: C16H16Cl2N2O3 MolecularWeight: 355.21584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3.ClH/c17-14-5-2-1-4-13(14)16(21)22-11-3-8-19-15(20)12-6-9-18-10-7-12;/h1-2,4-7,9-10H,3,8,11H2,(H,19,20);1H