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

Systemtic Name: O5-tert-butyl O3-ethyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-tert-butyl 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-tert-butyl ester O3-ethyl ester IUPAC Name: 5-O-tert-butyl 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-tert-butyl ester O3-ethyl ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#C)C(=O)OC(C)(C)C)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/C23H27NO4/c1-8-16-11-10-12-17(13-16)20-18(21(25)27-9-2)14(3)24-15(4)19(20)22(26)28-23(5,6)7/h1,10-13,20,24H,9H2,2-7H3