1-(1,2-oxazepan-4-ylcarbonyl)pyrrole-2-carboxylic acid

Systemtic Name: 1-(1,2-oxazepan-4-ylcarbonyl)pyrrole-2-carboxylic acid Openeye Name: 1-(oxazepane-4-carbonyl)pyrrole-2-carboxylic acid CAS Name: 1-[4-oxazepanyl(oxo)methyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-(oxazepane-4-carbonyl)pyrrole-2-carboxylic acid Traditional Name: 1-(oxazepane-4-carbonyl)pyrrole-2-carboxylic acid Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNOC1)C(=O)N2C=CC=C2C(=O)O

Isomeric SMILES

C1CC(CNOC1)C(=O)N2C=CC=C2C(=O)O

InChI

InChI=1S/C11H14N2O4/c14-10(8-3-2-6-17-12-7-8)13-5-1-4-9(13)11(15)16/h1,4-5,8,12H,2-3,6-7H2,(H,15,16)