O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-(3-bromophenyl)carbonyl-2-ethyl-propanedioate

Systemtic Name: O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-(3-bromophenyl)carbonyl-2-ethyl-propanedioate Openeye Name: O1-(6-chloro-1H-indol-3-yl) O3-ethyl 2-(3-bromobenzoyl)-2-ethyl-propanedioate CAS Name: 2-[(3-bromophenyl)-oxomethyl]-2-ethylpropanedioic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester IUPAC Name: 1-O-(6-chloro-1H-indol-3-yl) 3-O-ethyl 2-(3-bromobenzoyl)-2-ethylpropanedioate Traditional Name: 2-(3-bromobenzoyl)-2-ethyl-malonic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester Formula: C22H19BrClNO5 MolecularWeight: 492.74696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=CC=C1)Br)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCC(C(=O)C1=CC(=CC=C1)Br)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C22H19BrClNO5/c1-3-22(20(27)29-4-2,19(26)13-6-5-7-14(23)10-13)21(28)30-18-12-25-17-11-15(24)8-9-16(17)18/h5-12,25H,3-4H2,1-2H3