ethyl 2-methyl-5-oxidanyl-4-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(R)-phenyl(1-pyrrolidin-1-iumyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C27H28NO4+ MolecularWeight: 430.51552

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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=C4)[NH+]5CCCC5)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4/c1-3-31-27(30)21-17(2)32-26-20-14-8-7-13-19(20)25(29)23(22(21)26)24(28-15-9-10-16-28)18-11-5-4-6-12-18/h4-8,11-14,24,29H,3,9-10,15-16H2,1-2H3/p+1/t24-/m1/s1