methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanyl-benzo[b]carbazole-1-carboxylate

Systemtic Name: methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanyl-benzo[b]carbazole-1-carboxylate Openeye Name: methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-benzo[b]carbazole-1-carboxylate CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-1-benzo[b]carbazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxybenzo[b]carbazole-1-carboxylate Traditional Name: 5-homoveratryl-2-hydroxy-benzo[b]carbazole-1-carboxylic acid methyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=C(C4=CC5=CC=CC=C5C=C42)C(=C(C=C3)O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=C(C4=CC5=CC=CC=C5C=C42)C(=C(C=C3)O)C(=O)OC)OC

InChI

InChI=1S/C28H25NO5/c1-32-24-11-8-17(14-25(24)33-2)12-13-29-21-9-10-23(30)27(28(31)34-3)26(21)20-15-18-6-4-5-7-19(18)16-22(20)29/h4-11,14-16,30H,12-13H2,1-3H3