2-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzoic acid Openeye Name: 2-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid CAS Name: 2-[(2,7-dioxo-1-azepanyl)methyl]benzoic acid IUPAC Name: 2-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid Traditional Name: 2-[(2,7-diketoazepan-1-yl)methyl]benzoic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H15NO4/c16-12-7-3-4-8-13(17)15(12)9-10-5-1-2-6-11(10)14(18)19/h1-2,5-6H,3-4,7-9H2,(H,18,19)