2-[3-ethoxycarbonyl-4,7-bis(oxidanylidene)-6-phenylmethoxy-cyclohepta[b]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-4,7-bis(oxidanylidene)-6-phenylmethoxy-cyclohepta[b]pyridin-1-yl]ethanoic acid Openeye Name: 2-(6-benzyloxy-3-ethoxycarbonyl-4,7-dioxo-cyclohepta[b]pyridin-1-yl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-4,7-dioxo-6-phenylmethoxy-1-cyclohepta[b]pyridinyl)acetic acid IUPAC Name: 2-(3-ethoxycarbonyl-4,7-dioxo-6-phenylmethoxycyclohepta[b]pyridin-1-yl)acetic acid Traditional Name: 2-(6-benzoxy-3-carbethoxy-4,7-diketo-cyclohepta[b]pyridin-1-yl)acetic acid Formula: C22H19NO7 MolecularWeight: 409.38876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C(=O)C=C2)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C(=O)C=C2)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C22H19NO7/c1-2-29-22(28)16-11-23(12-20(25)26)17-8-9-18(24)19(10-15(17)21(16)27)30-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,25,26)