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

Systemtic Name: 3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxybenzoic acid Openeye Name: 3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]benzoic acid CAS Name: 3-[1-(1-azepanyl)-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 3-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 3-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]benzoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=CC=CC(=C2)C(=O)O

InChI

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