pentyl 2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanoate

Systemtic Name: pentyl 2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanoate Openeye Name: pentyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid pentyl ester IUPAC Name: pentyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzoxepin-2-yl)acetic acid amyl ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCOC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22O4/c1-2-3-6-11-24-20(22)13-15-9-10-19-18(12-15)21(23)17-8-5-4-7-16(17)14-25-19/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3