dimethyl 3-[(2,6-diethylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dimethyl 3-[(2,6-diethylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: dimethyl 3-[(2,6-diethylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate CAS Name: 3-[(2,6-diethylanilino)-oxomethyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(2,6-diethylphenyl)carbamoyl]pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: 3-[(2,6-diethylphenyl)carbamoyl]pyrrol[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C3N2C=CC4=CC=CC=C43)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C3N2C=CC4=CC=CC=C43)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H26N2O5/c1-5-16-11-9-12-17(6-2)22(16)28-25(30)24-21(27(32)34-4)20(26(31)33-3)23-19-13-8-7-10-18(19)14-15-29(23)24/h7-15H,5-6H2,1-4H3,(H,28,30)