O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester O1-ethyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C17H19NO5/c1-2-22-16(20)7-8-17(21)23-12-15(19)18-10-9-13-5-3-4-6-14(13)11-18/h3-8H,2,9-12H2,1H3/b8-7+