ethyl 2-[(4-cyanophenyl)methyl]-2-oxidanyl-heptanoate

Systemtic Name: ethyl 2-[(4-cyanophenyl)methyl]-2-oxidanyl-heptanoate Openeye Name: ethyl 2-[(4-cyanophenyl)methyl]-2-hydroxy-heptanoate CAS Name: 2-[(4-cyanophenyl)methyl]-2-hydroxyheptanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyanophenyl)methyl]-2-hydroxyheptanoate Traditional Name: 2-(4-cyanobenzyl)-2-hydroxy-enanthic acid ethyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC1=CC=C(C=C1)C#N)(C(=O)OCC)O

Isomeric SMILES

CCCCCC(CC1=CC=C(C=C1)C#N)(C(=O)OCC)O

InChI

InChI=1S/C17H23NO3/c1-3-5-6-11-17(20,16(19)21-4-2)12-14-7-9-15(13-18)10-8-14/h7-10,20H,3-6,11-12H2,1-2H3