2-cyano-2-(3-methoxycarbonyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid

Systemtic Name: 2-cyano-2-(3-methoxycarbonyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)ethanoic acid Openeye Name: 2-cyano-2-(3-methoxycarbonyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid CAS Name: 2-cyano-2-(3-methoxycarbonyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid IUPAC Name: 2-cyano-2-(3-methoxycarbonyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)acetic acid Traditional Name: 2-(3-carbomethoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-2-cyano-acetic acid Formula: C19H15NO5 MolecularWeight: 337.3261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3CO2)C(C#N)C(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3CO2)C(C#N)C(=O)O

InChI

InChI=1S/C19H15NO5/c1-24-19(23)11-6-7-14-16(8-11)25-10-12-4-2-3-5-13(12)17(14)15(9-20)18(21)22/h2-8,15,17H,10H2,1H3,(H,21,22)