2-[(3-cyanophenyl)methyl]-7-methoxy-7-oxidanylidene-heptanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methyl]-7-methoxy-7-oxidanylidene-heptanoic acid Openeye Name: 2-[(3-cyanophenyl)methyl]-7-methoxy-7-oxo-heptanoic acid CAS Name: 2-[(3-cyanophenyl)methyl]-7-methoxy-7-oxoheptanoic acid IUPAC Name: 2-[(3-cyanophenyl)methyl]-7-methoxy-7-oxoheptanoic acid Traditional Name: 2-(3-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(=C1)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-21-15(18)8-3-2-7-14(16(19)20)10-12-5-4-6-13(9-12)11-17/h4-6,9,14H,2-3,7-8,10H2,1H3,(H,19,20)