ethyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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