4-(2-chlorophenyl)-3-ethoxycarbonyl-2-(hydroxymethyl)-3-methoxycarbonyl-2,4-dihydro-1H-pyridine-5-carboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-3-ethoxycarbonyl-2-(hydroxymethyl)-3-methoxycarbonyl-2,4-dihydro-1H-pyridine-5-carboxylic acid Openeye Name: 4-(2-chlorophenyl)-3-ethoxycarbonyl-2-(hydroxymethyl)-3-methoxycarbonyl-2,4-dihydro-1H-pyridine-5-carboxylic acid CAS Name: 4-(2-chlorophenyl)-3-ethoxycarbonyl-2-(hydroxymethyl)-3-methoxycarbonyl-2,4-dihydro-1H-pyridine-5-carboxylic acid IUPAC Name: 4-(2-chlorophenyl)-3-ethoxycarbonyl-2-(hydroxymethyl)-3-methoxycarbonyl-2,4-dihydro-1H-pyridine-5-carboxylic acid Traditional Name: 3-carbethoxy-3-carbomethoxy-4-(2-chlorophenyl)-2-methylol-2,4-dihydro-1H-pyridine-5-carboxylic acid Formula: C18H20ClNO7 MolecularWeight: 397.8069

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(NC=C(C1C2=CC=CC=C2Cl)C(=O)O)CO)C(=O)OC

Isomeric SMILES

CCOC(=O)C1(C(NC=C(C1C2=CC=CC=C2Cl)C(=O)O)CO)C(=O)OC

InChI

InChI=1S/C18H20ClNO7/c1-3-27-17(25)18(16(24)26-2)13(9-21)20-8-11(15(22)23)14(18)10-6-4-5-7-12(10)19/h4-8,13-14,20-21H,3,9H2,1-2H3,(H,22,23)