(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 3-ethyl-3-oxidanyl-2-phenyl-pentanoate

Systemtic Name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 3-ethyl-3-oxidanyl-2-phenyl-pentanoate Openeye Name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 3-ethyl-3-hydroxy-2-phenyl-pentanoate CAS Name: 3-ethyl-3-hydroxy-2-phenylpentanoic acid (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl ester IUPAC Name: (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 3-ethyl-3-hydroxy-2-phenylpentanoate Traditional Name: 3-ethyl-3-hydroxy-2-phenyl-valeric acid (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C1=CC=CC=C1)C(=O)OCC2=CCN(CC2)C)O

Isomeric SMILES

CCC(CC)(C(C1=CC=CC=C1)C(=O)OCC2=CCN(CC2)C)O

InChI

InChI=1S/C20H29NO3/c1-4-20(23,5-2)18(17-9-7-6-8-10-17)19(22)24-15-16-11-13-21(3)14-12-16/h6-11,18,23H,4-5,12-15H2,1-3H3