[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C17H23NO4/c1-13-7-8-15(19)14(11-13)17(21)22-12-16(20)18-9-5-3-2-4-6-10-18/h7-8,11,19H,2-6,9-10,12H2,1H3