4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2,7-bis(oxidanylidene)azepan-1-yl]methyl]benzoic acid Openeye Name: 4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid CAS Name: 4-[(2,7-dioxo-1-azepanyl)methyl]benzoic acid IUPAC Name: 4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15NO4/c16-12-3-1-2-4-13(17)15(12)9-10-5-7-11(8-6-10)14(18)19/h5-8H,1-4,9H2,(H,18,19)