diethyl 4-(2-ethynylphenyl)-2,6-di(propan-2-yl)pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-ethynylphenyl)-2,6-di(propan-2-yl)pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-ethynylphenyl)-2,6-diisopropyl-pyridine-3,5-dicarboxylate CAS Name: 4-(2-ethynylphenyl)-2,6-di(propan-2-yl)pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-ethynylphenyl)-2,6-di(propan-2-yl)pyridine-3,5-dicarboxylate Traditional Name: 4-(2-ethynylphenyl)-2,6-diisopropyl-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1C(C)C)C(C)C)C(=O)OCC)C2=CC=CC=C2C#C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1C(C)C)C(C)C)C(=O)OCC)C2=CC=CC=C2C#C

InChI

InChI=1S/C25H29NO4/c1-8-17-13-11-12-14-18(17)19-20(24(27)29-9-2)22(15(4)5)26-23(16(6)7)21(19)25(28)30-10-3/h1,11-16H,9-10H2,2-7H3