methyl 6-[(2-cyanophenyl)methyl]-7-oxidanyl-heptanoate

Systemtic Name: methyl 6-[(2-cyanophenyl)methyl]-7-oxidanyl-heptanoate Openeye Name: methyl 6-[(2-cyanophenyl)methyl]-7-hydroxy-heptanoate CAS Name: 6-[(2-cyanophenyl)methyl]-7-hydroxyheptanoic acid methyl ester IUPAC Name: methyl 6-[(2-cyanophenyl)methyl]-7-hydroxyheptanoate Traditional Name: 6-(2-cyanobenzyl)-7-hydroxy-enanthic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CC1=CC=CC=C1C#N)CO

Isomeric SMILES

COC(=O)CCCCC(CC1=CC=CC=C1C#N)CO

InChI

InChI=1S/C16H21NO3/c1-20-16(19)9-5-2-6-13(12-18)10-14-7-3-4-8-15(14)11-17/h3-4,7-8,13,18H,2,5-6,9-10,12H2,1H3