methyl 6-[(3-cyanophenyl)methyl]-7-oxidanyl-heptanoate

Systemtic Name: methyl 6-[(3-cyanophenyl)methyl]-7-oxidanyl-heptanoate Openeye Name: methyl 6-[(3-cyanophenyl)methyl]-7-hydroxy-heptanoate CAS Name: 6-[(3-cyanophenyl)methyl]-7-hydroxyheptanoic acid methyl ester IUPAC Name: methyl 6-[(3-cyanophenyl)methyl]-7-hydroxyheptanoate Traditional Name: 6-(3-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(=C1)C#N)CO

Isomeric SMILES

COC(=O)CCCCC(CC1=CC=CC(=C1)C#N)CO

InChI

InChI=1S/C16H21NO3/c1-20-16(19)8-3-2-5-15(12-18)10-13-6-4-7-14(9-13)11-17/h4,6-7,9,15,18H,2-3,5,8,10,12H2,1H3