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

Systemtic Name: bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C=CC(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)/C=C/C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H26N2O6/c29-23(27-13-11-19-5-1-3-7-21(19)15-27)17-33-25(31)9-10-26(32)34-18-24(30)28-14-12-20-6-2-4-8-22(20)16-28/h1-10H,11-18H2/b10-9+