5-(2-oxidanylideneethenoxycarbonyl)-2-phenethyl-1,4-dihydropyridine-3-carboxylic acid dihydrochloride

Systemtic Name: 5-(2-oxidanylideneethenoxycarbonyl)-2-phenethyl-1,4-dihydropyridine-3-carboxylic acid dihydrochloride Openeye Name: 5-(2-oxovinyloxycarbonyl)-2-phenethyl-1,4-dihydropyridine-3-carboxylic acid dihydrochloride CAS Name: 5-[oxo(2-oxoethenoxy)methyl]-2-phenethyl-1,4-dihydropyridine-3-carboxylic acid dihydrochloride IUPAC Name: 5-(2-oxoethenoxycarbonyl)-2-phenethyl-1,4-dihydropyridine-3-carboxylic acid dihydrochloride Traditional Name: 5-(2-ketovinyloxycarbonyl)-2-phenethyl-1,4-dihydropyridine-3-carboxylic acid dihydrochloride Formula: C17H17Cl2NO5 MolecularWeight: 386.22658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC(=C1C(=O)O)CCC2=CC=CC=C2)C(=O)OC=C=O.Cl.Cl

Isomeric SMILES

C1C(=CNC(=C1C(=O)O)CCC2=CC=CC=C2)C(=O)OC=C=O.Cl.Cl

InChI

InChI=1S/C17H15NO5.2ClH/c19-8-9-23-17(22)13-10-14(16(20)21)15(18-11-13)7-6-12-4-2-1-3-5-12;;/h1-5,9,11,18H,6-7,10H2,(H,20,21);2*1H