ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-5-oxidanyl-indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-methylphenyl)-5-oxidanyl-indole-2-carboxylate Openeye Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-(p-tolyl)indole-2-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-(4-methylphenyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-(4-methylphenyl)indole-2-carboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-hydroxy-3-(p-tolyl)indole-2-carboxylic acid ethyl ester Formula: C26H22ClNO5 MolecularWeight: 463.90958

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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=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClNO5/c1-3-31-26(30)25-24(16-6-4-15(2)5-7-16)19-11-18(29)8-9-21(19)28(25)13-17-10-22-23(12-20(17)27)33-14-32-22/h4-12,29H,3,13-14H2,1-2H3