3,5-dimethyl-4-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid

Systemtic Name: 3,5-dimethyl-4-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid Openeye Name: 3,5-dimethyl-4-(2-oxoazepan-3-yl)oxy-benzoic acid CAS Name: 3,5-dimethyl-4-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 3,5-dimethyl-4-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 4-(2-ketoazepan-3-yl)oxy-3,5-dimethyl-benzoic acid Formula: C15H19NO4 MolecularWeight: 277.31566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)C(=O)O

InChI

InChI=1S/C15H19NO4/c1-9-7-11(15(18)19)8-10(2)13(9)20-12-5-3-4-6-16-14(12)17/h7-8,12H,3-6H2,1-2H3,(H,16,17)(H,18,19)