2-[4-[2,7-bis(oxidanylidene)azepan-1-yl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2,7-bis(oxidanylidene)azepan-1-yl]phenyl]ethanoic acid Openeye Name: 2-[4-(2,7-dioxoazepan-1-yl)phenyl]acetic acid CAS Name: 2-[4-(2,7-dioxo-1-azepanyl)phenyl]acetic acid IUPAC Name: 2-[4-(2,7-dioxoazepan-1-yl)phenyl]acetic acid Traditional Name: 2-[4-(2,7-diketoazepan-1-yl)phenyl]acetic acid Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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