methyl 2-(11-oxidanylidene-6a,7,10,10a-tetrahydro-6H-benzo[c][1]benzoxepin-3-yl)ethanoate

Systemtic Name: methyl 2-(11-oxidanylidene-6a,7,10,10a-tetrahydro-6H-benzo[c][1]benzoxepin-3-yl)ethanoate Openeye Name: methyl 2-(11-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c][1]benzoxepin-3-yl)acetate CAS Name: 2-(11-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c][1]benzoxepin-3-yl)acetic acid methyl ester IUPAC Name: methyl 2-(11-oxo-6a,7,10,10a-tetrahydro-6H-benzo[c][1]benzoxepin-3-yl)acetate Traditional Name: 2-(11-keto-6a,7,10,10a-tetrahydro-6H-benzo[c][1]benzoxepin-3-yl)acetic acid methyl ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)C(=O)C3CC=CCC3CO2

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)C(=O)C3CC=CCC3CO2

InChI

InChI=1S/C17H18O4/c1-20-16(18)9-11-6-7-14-15(8-11)21-10-12-4-2-3-5-13(12)17(14)19/h2-3,6-8,12-13H,4-5,9-10H2,1H3