2-(8-acetamido-6H-benzo[b][1,4]benzodioxepin-2-yl)ethanoic acid

Systemtic Name: 2-(8-acetamido-6H-benzo[b][1,4]benzodioxepin-2-yl)ethanoic acid Openeye Name: 2-(8-acetamido-6H-benzo[b][1,4]benzodioxepin-2-yl)acetic acid CAS Name: 2-(8-acetamido-6H-benzo[b][1,4]benzodioxepin-2-yl)acetic acid IUPAC Name: 2-(8-acetamido-6H-benzo[b][1,4]benzodioxepin-2-yl)acetic acid Traditional Name: 2-(8-acetamido-6H-benzo[b][1,4]benzodioxepin-2-yl)acetic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C3)CC(=O)O)OC2

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)OC3=C(C=CC(=C3)CC(=O)O)OC2

InChI

InChI=1S/C17H15NO5/c1-10(19)18-13-3-5-14-12(8-13)9-22-15-4-2-11(7-17(20)21)6-16(15)23-14/h2-6,8H,7,9H2,1H3,(H,18,19)(H,20,21)