ethyl 2-[(3-pentanoylphenyl)methyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(3-pentanoylphenyl)methyl]pyridine-3-carboxylate Openeye Name: ethyl 2-[(3-pentanoylphenyl)methyl]pyridine-3-carboxylate CAS Name: 2-[[3-(1-oxopentyl)phenyl]methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-pentanoylphenyl)methyl]pyridine-3-carboxylate Traditional Name: 2-(3-valerylbenzyl)nicotinic acid ethyl ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC(=CC=C1)CC2=C(C=CC=N2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)C1=CC(=CC=C1)CC2=C(C=CC=N2)C(=O)OCC

InChI

InChI=1S/C20H23NO3/c1-3-5-11-19(22)16-9-6-8-15(13-16)14-18-17(10-7-12-21-18)20(23)24-4-2/h6-10,12-13H,3-5,11,14H2,1-2H3