diethyl 4-(3-ethynylphenyl)-2-methanoyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-ethynylphenyl)-2-methanoyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-ethynylphenyl)-2-formyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-ethynylphenyl)-2-formyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-ethynylphenyl)-2-formyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-ethynylphenyl)-2-formyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#C)C(=O)OCC)C=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#C)C(=O)OCC)C=O)C

InChI

InChI=1S/C21H21NO5/c1-5-14-9-8-10-15(11-14)18-17(20(24)26-6-2)13(4)22-16(12-23)19(18)21(25)27-7-3/h1,8-12,18,22H,6-7H2,2-4H3