O5-[(E)-but-2-enyl] O3-ethyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[(E)-but-2-enyl] O3-ethyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[(E)-but-2-enyl] O3-ethyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(E)-but-2-enyl] ester O3-ethyl ester IUPAC Name: 5-O-[(E)-but-2-enyl] 3-O-ethyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(E)-but-2-enyl] ester O3-ethyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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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=CC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-6-9-13-28-23(26)20-16(5)24-15(4)19(22(25)27-8-3)21(20)18-12-10-11-17(7-2)14-18/h2,6,9-12,14,21,24H,8,13H2,1,3-5H3/b9-6+