methyl 3-[1,3-bis(oxidanylidene)-2H-pyrrolo[3,2-c]pyridin-1-ium-2-yl]-3-(4-cyclopentyloxy-3-ethoxy-phenyl)propanoate

Systemtic Name: methyl 3-[1,3-bis(oxidanylidene)-2H-pyrrolo[3,2-c]pyridin-1-ium-2-yl]-3-(4-cyclopentyloxy-3-ethoxy-phenyl)propanoate Openeye Name: methyl 3-[4-(cyclopentoxy)-3-ethoxy-phenyl]-3-(1,3-dioxo-2H-pyrrolo[3,2-c]pyridin-1-ium-2-yl)propanoate CAS Name: 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxo-2H-pyrrolo[3,2-c]pyridin-1-ium-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxo-2H-pyrrolo[3,2-c]pyridin-1-ium-2-yl)propanoate Traditional Name: 3-[4-(cyclopentoxy)-3-ethoxy-phenyl]-3-(1,3-diketo-2H-pyrrolo[3,2-c]pyridin-1-ium-2-yl)propionic acid methyl ester Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)OC)C2C(=O)C3=C([N+]2=O)C=CN=C3)OC4CCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)OC)C2C(=O)C3=C([N+]2=O)C=CN=C3)OC4CCCC4

InChI

InChI=1S/C24H27N2O6/c1-3-31-21-12-15(8-9-20(21)32-16-6-4-5-7-16)17(13-22(27)30-2)23-24(28)18-14-25-11-10-19(18)26(23)29/h8-12,14,16-17,23H,3-7,13H2,1-2H3/q+1