O3-ethyl O5-propyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-propyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-propyl 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 O3-ethyl ester O5-propyl ester IUPAC Name: 3-O-ethyl 5-O-propyl 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 O3-ethyl ester O5-propyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-6-12-27-22(25)19-15(5)23-14(4)18(21(24)26-8-3)20(19)17-11-9-10-16(7-2)13-17/h2,9-11,13,20,23H,6,8,12H2,1,3-5H3