diethyl 3-(4-bromophenyl)carbonylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: diethyl 3-(4-bromophenyl)carbonylpyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: diethyl 3-(4-bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-(4-bromobenzoyl)pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 3-(4-bromobenzoyl)pyrrol[2,1-a]isoquinoline-1,2-dicarboxylic acid diethyl ester Formula: C25H20BrNO5 MolecularWeight: 494.334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(=O)OCC)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(=O)OCC)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H20BrNO5/c1-3-31-24(29)19-20(25(30)32-4-2)22(23(28)16-9-11-17(26)12-10-16)27-14-13-15-7-5-6-8-18(15)21(19)27/h5-14H,3-4H2,1-2H3