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

Systemtic Name: O2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester O4-isopropyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H26N2O5/c1-13(2)29-21(26)19-14(3)20(23-15(19)4)22(27)28-12-18(25)24-10-9-16-7-5-6-8-17(16)11-24/h5-8,13,23H,9-12H2,1-4H3