[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCCCCC2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)N2CCCCCC2)O

InChI

InChI=1S/C16H21NO4/c1-12-6-7-13(14(18)10-12)16(20)21-11-15(19)17-8-4-2-3-5-9-17/h6-7,10,18H,2-5,8-9,11H2,1H3