4-[(3-oxidanylidene-4-oxaspiro[4.5]decan-1-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3-oxidanylidene-4-oxaspiro[4.5]decan-1-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3-oxo-4-oxaspiro[4.5]decane-1-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-(3-oxo-4-oxaspiro[4.5]decan-1-yl)methyl]amino]benzoic acid IUPAC Name: 4-[(3-oxo-4-oxaspiro[4.5]decane-1-carbonyl)amino]benzoic acid Traditional Name: 4-[(3-keto-4-oxaspiro[4.5]decane-1-carbonyl)amino]benzoic acid Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(CC(=O)O2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC2(CC1)C(CC(=O)O2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H19NO5/c19-14-10-13(17(23-14)8-2-1-3-9-17)15(20)18-12-6-4-11(5-7-12)16(21)22/h4-7,13H,1-3,8-10H2,(H,18,20)(H,21,22)