ethyl 6-(4-bromophenyl)-2-methyl-5-oxidanyl-1-prop-2-enyl-indole-3-carboxylate

Systemtic Name: ethyl 6-(4-bromophenyl)-2-methyl-5-oxidanyl-1-prop-2-enyl-indole-3-carboxylate Openeye Name: ethyl 1-allyl-6-(4-bromophenyl)-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 6-(4-bromophenyl)-5-hydroxy-2-methyl-1-prop-2-enyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-bromophenyl)-5-hydroxy-2-methyl-1-prop-2-enylindole-3-carboxylate Traditional Name: 1-allyl-6-(4-bromophenyl)-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC=C(C=C3)Br)CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC=C(C=C3)Br)CC=C)C

InChI

InChI=1S/C21H20BrNO3/c1-4-10-23-13(3)20(21(25)26-5-2)17-12-19(24)16(11-18(17)23)14-6-8-15(22)9-7-14/h4,6-9,11-12,24H,1,5,10H2,2-3H3