azepane; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: azepane; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: azepane; 2-hydroxy-2-phenyl-acetic acid CAS Name: azepane; 2-hydroxy-2-phenylacetic acid IUPAC Name: azepane; 2-hydroxy-2-phenylacetic acid Traditional Name: azepane; madelic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNCC1.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

C1CCCNCC1.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C8H8O3.C6H13N/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-4-6-7-5-3-1/h1-5,7,9H,(H,10,11);7H,1-6H2