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

Systemtic Name: ethyl 6-bromanyl-1-(3-chlorophenyl)-2-methyl-5-oxidanyl-4-prop-2-enyl-indole-3-carboxylate Openeye Name: ethyl 4-allyl-6-bromo-1-(3-chlorophenyl)-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 6-bromo-1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-prop-2-enyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-(3-chlorophenyl)-5-hydroxy-2-methyl-4-prop-2-enylindole-3-carboxylate Traditional Name: 4-allyl-6-bromo-1-(3-chlorophenyl)-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H19BrClNO3 MolecularWeight: 448.73746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClNO3/c1-4-7-15-19-17(11-16(22)20(15)25)24(14-9-6-8-13(23)10-14)12(3)18(19)21(26)27-5-2/h4,6,8-11,25H,1,5,7H2,2-3H3