(E)-but-2-enedioic acid; O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; pyridine-3,5-dicarboxylic acid

Systemtic Name: (E)-but-2-enedioic acid; O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; pyridine-3,5-dicarboxylic acid Openeye Name: O3-ethyl O5-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; fumaric acid; pyridine-3,5-dicarboxylic acid CAS Name: 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester; (E)-2-butenedioic acid; pyridine-3,5-dicarboxylic acid IUPAC Name: (E)-but-2-enedioic acid; 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; pyridine-3,5-dicarboxylic acid Traditional Name: 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester; dinicotinic acid; fumaric acid Formula: C31H34ClN3O13 MolecularWeight: 692.06696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=C(C=NC=C1C(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=C(C=NC=C1C(=O)O)C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25ClN2O5.C7H5NO4.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;9-6(10)4-1-5(7(11)12)3-8-2-4;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-3H,(H,9,10)(H,11,12);1-2H,(H,5,6)(H,7,8)/b;;2-1+