3-ethoxycarbonyl-2-methyl-4-[(R)-pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-5-olate

Systemtic Name: 3-ethoxycarbonyl-2-methyl-4-[(R)-pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-2-methyl-4-[(R)-2-pyridyl(pyrrolidin-1-ium-1-yl)methyl]benzo[g]benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-2-methyl-4-[(R)-2-pyridinyl(1-pyrrolidin-1-iumyl)methyl]-5-benzo[g]benzofuranolate IUPAC Name: 3-ethoxycarbonyl-2-methyl-4-[(R)-pyridin-2-yl(pyrrolidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-5-olate Traditional Name: 3-carbethoxy-2-methyl-4-[(R)-2-pyridyl(pyrrolidin-1-ium-1-yl)methyl]benzo[g]benzofuran-5-olate Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])C(C4=CC=CC=N4)[NH+]5CCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])[C@H](C4=CC=CC=N4)[NH+]5CCCC5)C

InChI

InChI=1S/C26H26N2O4/c1-3-31-26(30)20-16(2)32-25-18-11-5-4-10-17(18)24(29)22(21(20)25)23(28-14-8-9-15-28)19-12-6-7-13-27-19/h4-7,10-13,23,29H,3,8-9,14-15H2,1-2H3/t23-/m0/s1