5-ethoxycarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C24H21NO4 MolecularWeight: 387.42784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C24H21NO4/c1-3-29-24(28)20-16(2)25-22(18-12-8-5-9-13-18)21(23(26)27)19(20)15-14-17-10-6-4-7-11-17/h4-13,19,25H,3H2,1-2H3,(H,26,27)