methyl 5-[1,2-bis(oxidanyl)ethyl]-3-(phenylmethyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate

Systemtic Name: methyl 5-[1,2-bis(oxidanyl)ethyl]-3-(phenylmethyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate Openeye Name: methyl 3-benzyl-5-(1,2-dihydroxyethyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate CAS Name: 5-(1,2-dihydroxyethyl)-3-(phenylmethyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-5-(1,2-dihydroxyethyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylate Traditional Name: 3-benzyl-5-(1,2-dihydroxyethyl)-1,2,3a,4,5,7-hexahydropyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C3(CCN(C3CC1C(CO)O)CC4=CC=CC=C4)C5=CC=CC=C5N2

Isomeric SMILES

COC(=O)C1=C2C3(CCN(C3CC1C(CO)O)CC4=CC=CC=C4)C5=CC=CC=C5N2

InChI

InChI=1S/C25H28N2O4/c1-31-24(30)22-17(20(29)15-28)13-21-25(18-9-5-6-10-19(18)26-23(22)25)11-12-27(21)14-16-7-3-2-4-8-16/h2-10,17,20-21,26,28-29H,11-15H2,1H3