methyl 1-[(4-bromanyl-2-chloranyl-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 1-[(4-bromanyl-2-chloranyl-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate Openeye Name: methyl 1-[(4-bromo-2-chloro-phenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylate CAS Name: 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylate Traditional Name: 1-(4-bromo-2-chloro-benzyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid methyl ester Formula: C24H25BrClNO3 MolecularWeight: 490.8172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)Br)Cl)C=C(C=C2)C(=O)OC)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=C(C=C(C=C3)Br)Cl)C=C(C=C2)C(=O)OC)C(=O)C(C)C

InChI

InChI=1S/C24H25BrClNO3/c1-5-6-20-22(23(28)14(2)3)18-10-8-15(24(29)30-4)11-21(18)27(20)13-16-7-9-17(25)12-19(16)26/h7-12,14H,5-6,13H2,1-4H3