[5-carboxyoxy-2-(3-pyrrol-1-ylphenyl)pyridin-3-yl] 2-methoxyethyl carbonate

Systemtic Name: [5-carboxyoxy-2-(3-pyrrol-1-ylphenyl)pyridin-3-yl] 2-methoxyethyl carbonate Openeye Name: [5-carboxyoxy-2-(3-pyrrol-1-ylphenyl)-3-pyridyl] 2-methoxyethyl carbonate CAS Name: carbonic acid [5-carboxyoxy-2-[3-(1-pyrrolyl)phenyl]-3-pyridinyl] 2-methoxyethyl ester IUPAC Name: [5-carboxyoxy-2-(3-pyrrol-1-ylphenyl)pyridin-3-yl] 2-methoxyethyl carbonate Traditional Name: carbonic acid [5-carboxyoxy-2-(3-pyrrol-1-ylphenyl)-3-pyridyl] 2-methoxyethyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)OC1=C(N=CC(=C1)OC(=O)O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

COCCOC(=O)OC1=C(N=CC(=C1)OC(=O)O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C20H18N2O7/c1-26-9-10-27-20(25)29-17-12-16(28-19(23)24)13-21-18(17)14-5-4-6-15(11-14)22-7-2-3-8-22/h2-8,11-13H,9-10H2,1H3,(H,23,24)