ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-oxidanyl-3-phenyl-indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-oxidanyl-3-phenyl-indole-2-carboxylate Openeye Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-phenyl-indole-2-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-phenyl-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-phenylindole-2-carboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-phenyl-indole-2-carboxylic acid ethyl ester Formula: C25H20ClNO5 MolecularWeight: 449.883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)O)C5=CC=CC=C5

InChI

InChI=1S/C25H20ClNO5/c1-2-30-25(29)24-23(15-6-4-3-5-7-15)18-11-17(28)8-9-20(18)27(24)13-16-10-21-22(12-19(16)26)32-14-31-21/h3-12,28H,2,13-14H2,1H3