1-(carboxymethyl)-4,7-bis(oxidanylidene)-6-phenylmethoxy-cyclohepta[b]pyridine-3-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-4,7-bis(oxidanylidene)-6-phenylmethoxy-cyclohepta[b]pyridine-3-carboxylic acid Openeye Name: 6-benzyloxy-1-(carboxymethyl)-4,7-dioxo-cyclohepta[b]pyridine-3-carboxylic acid CAS Name: 1-(carboxymethyl)-4,7-dioxo-6-phenylmethoxy-3-cyclohepta[b]pyridinecarboxylic acid IUPAC Name: 1-(carboxymethyl)-4,7-dioxo-6-phenylmethoxycyclohepta[b]pyridine-3-carboxylic acid Traditional Name: 6-benzoxy-1-(carboxymethyl)-4,7-diketo-cyclohepta[b]pyridine-3-carboxylic acid Formula: C20H15NO7 MolecularWeight: 381.3356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=CC2=O)N(C=C(C3=O)C(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=CC2=O)N(C=C(C3=O)C(=O)O)CC(=O)O

InChI

InChI=1S/C20H15NO7/c22-16-7-6-15-13(8-17(16)28-11-12-4-2-1-3-5-12)19(25)14(20(26)27)9-21(15)10-18(23)24/h1-9H,10-11H2,(H,23,24)(H,26,27)