dimethyl 3-[(3-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dimethyl 3-[(3-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: dimethyl 3-[(3-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 3-[(3-fluoroanilino)-oxomethyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(3-fluorophenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 3-[(3-fluorophenyl)carbamoyl]pyrrol[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester Formula: C23H17FN2O5 MolecularWeight: 420.389883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(=O)OC)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

COC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(=O)OC)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H17FN2O5/c1-30-22(28)17-18(23(29)31-2)20(21(27)25-15-8-5-7-14(24)12-15)26-11-10-13-6-3-4-9-16(13)19(17)26/h3-12H,1-2H3,(H,25,27)