methyl 2-[4-hexyl-3-(phenylcarbonyl)-4H-pyridin-1-yl]propanoate

Systemtic Name: methyl 2-[4-hexyl-3-(phenylcarbonyl)-4H-pyridin-1-yl]propanoate Openeye Name: methyl 2-(3-benzoyl-4-hexyl-4H-pyridin-1-yl)propanoate CAS Name: 2-(3-benzoyl-4-hexyl-4H-pyridin-1-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(3-benzoyl-4-hexyl-4H-pyridin-1-yl)propanoate Traditional Name: 2-(3-benzoyl-4-hexyl-4H-pyridin-1-yl)propionic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CN(C=C1C(=O)C2=CC=CC=C2)C(C)C(=O)OC

Isomeric SMILES

CCCCCCC1C=CN(C=C1C(=O)C2=CC=CC=C2)C(C)C(=O)OC

InChI

InChI=1S/C22H29NO3/c1-4-5-6-8-11-18-14-15-23(17(2)22(25)26-3)16-20(18)21(24)19-12-9-7-10-13-19/h7,9-10,12-18H,4-6,8,11H2,1-3H3