5-ethoxycarbonyl-1-(ethoxymethyl)-6-methyl-2-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-1-(ethoxymethyl)-6-methyl-2-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-1-(ethoxymethyl)-6-methyl-2-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-1-(ethoxymethyl)-6-methyl-2-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-1-(ethoxymethyl)-6-methyl-2-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-1-(ethoxymethyl)-6-methyl-2-phenyl-4-(2-phenylethynyl)-4H-pyridine-3-carboxylic acid Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=C(C(C(=C1C2=CC=CC=C2)C(=O)O)C#CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCOCN1C(=C(C(C(=C1C2=CC=CC=C2)C(=O)O)C#CC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C27H27NO5/c1-4-32-18-28-19(3)23(27(31)33-5-2)22(17-16-20-12-8-6-9-13-20)24(26(29)30)25(28)21-14-10-7-11-15-21/h6-15,22H,4-5,18H2,1-3H3,(H,29,30)