2-azanyl-4-methoxy-5-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid

Systemtic Name: 2-azanyl-4-methoxy-5-(2-oxidanylideneazepan-3-yl)oxy-benzoic acid Openeye Name: 2-amino-4-methoxy-5-(2-oxoazepan-3-yl)oxy-benzoic acid CAS Name: 2-amino-4-methoxy-5-[(2-oxo-3-azepanyl)oxy]benzoic acid IUPAC Name: 2-amino-4-methoxy-5-(2-oxoazepan-3-yl)oxybenzoic acid Traditional Name: 2-amino-5-(2-ketoazepan-3-yl)oxy-4-methoxy-benzoic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N)C(=O)O)OC2CCCCNC2=O

Isomeric SMILES

COC1=C(C=C(C(=C1)N)C(=O)O)OC2CCCCNC2=O

InChI

InChI=1S/C14H18N2O5/c1-20-11-7-9(15)8(14(18)19)6-12(11)21-10-4-2-3-5-16-13(10)17/h6-7,10H,2-5,15H2,1H3,(H,16,17)(H,18,19)