1-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]-5-propyl-azepane-2-carboxylic acid

Systemtic Name: 1-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl]-5-propyl-azepane-2-carboxylic acid Openeye Name: 1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-5-propyl-azepane-2-carboxylic acid CAS Name: 1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-5-propyl-2-azepanecarboxylic acid IUPAC Name: 1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-5-propylazepane-2-carboxylic acid Traditional Name: 1-[(2-keto-5-methyl-1,3-dioxol-4-yl)methyl]-5-propyl-azepane-2-carboxylic acid Formula: C15H23NO5 MolecularWeight: 297.34682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(N(CC1)CC2=C(OC(=O)O2)C)C(=O)O

Isomeric SMILES

CCCC1CCC(N(CC1)CC2=C(OC(=O)O2)C)C(=O)O

InChI

InChI=1S/C15H23NO5/c1-3-4-11-5-6-12(14(17)18)16(8-7-11)9-13-10(2)20-15(19)21-13/h11-12H,3-9H2,1-2H3,(H,17,18)