ethyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-methyl-1-phenethyl-indole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-methyl-1-phenethyl-indole-3-carboxylate Openeye Name: ethyl 5-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-methyl-1-phenethyl-indole-3-carboxylate CAS Name: 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-phenethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-bromophenyl)-2-oxoethoxy]-2-methyl-1-phenethylindole-3-carboxylate Traditional Name: 5-[2-(4-bromophenyl)-2-keto-ethoxy]-2-methyl-1-phenethyl-indole-3-carboxylic acid ethyl ester Formula: C28H26BrNO4 MolecularWeight: 520.41434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)C3=CC=C(C=C3)Br)CCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)C3=CC=C(C=C3)Br)CCC4=CC=CC=C4)C

InChI

InChI=1S/C28H26BrNO4/c1-3-33-28(32)27-19(2)30(16-15-20-7-5-4-6-8-20)25-14-13-23(17-24(25)27)34-18-26(31)21-9-11-22(29)12-10-21/h4-14,17H,3,15-16,18H2,1-2H3