2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)butanoic acid

Systemtic Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)butanoic acid Openeye Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)butanoic acid CAS Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)butanoic acid IUPAC Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)butanoic acid Traditional Name: 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)butyric acid Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC3=CC=CC=C3CC2)C(=O)O

Isomeric SMILES

CCC(C1=CC2=C(C=C1)OC3=CC=CC=C3CC2)C(=O)O

InChI

InChI=1S/C18H18O3/c1-2-15(18(19)20)13-9-10-17-14(11-13)8-7-12-5-3-4-6-16(12)21-17/h3-6,9-11,15H,2,7-8H2,1H3,(H,19,20)