[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=CC=C2)O

InChI

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