ethyl 4-(2-ethynylphenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-ethynylphenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)pyridine-3-carboxylate Openeye Name: ethyl 4-(2-ethynylphenyl)-2,6-diisopropyl-5-[(E)-pent-1-enyl]pyridine-3-carboxylate CAS Name: 4-(2-ethynylphenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethynylphenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)pyridine-3-carboxylate Traditional Name: 4-(2-ethynylphenyl)-2,6-diisopropyl-5-[(E)-pent-1-enyl]nicotinic acid ethyl ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=C(C(=C(N=C1C(C)C)C(C)C)C(=O)OCC)C2=CC=CC=C2C#C

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2/c1-8-11-12-17-22-23(21-16-14-13-15-20(21)9-2)24(27(29)30-10-3)26(19(6)7)28-25(22)18(4)5/h2,12-19H,8,10-11H2,1,3-7H3/b17-12+