2-[(2-cyanophenyl)methyl]-7-methoxy-7-oxidanylidene-heptanoic acid

Systemtic Name: 2-[(2-cyanophenyl)methyl]-7-methoxy-7-oxidanylidene-heptanoic acid Openeye Name: 2-[(2-cyanophenyl)methyl]-7-methoxy-7-oxo-heptanoic acid CAS Name: 2-[(2-cyanophenyl)methyl]-7-methoxy-7-oxoheptanoic acid IUPAC Name: 2-[(2-cyanophenyl)methyl]-7-methoxy-7-oxoheptanoic acid Traditional Name: 2-(2-cyanobenzyl)-7-keto-7-methoxy-enanthic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-21-15(18)9-5-4-7-13(16(19)20)10-12-6-2-3-8-14(12)11-17/h2-3,6,8,13H,4-5,7,9-10H2,1H3,(H,19,20)