O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester O2-ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H24N2O5/c1-4-27-21(26)19-13(2)18(14(3)22-19)20(25)28-12-17(24)23-10-9-15-7-5-6-8-16(15)11-23/h5-8,22H,4,9-12H2,1-3H3