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

Systemtic Name: bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] (E)-2-methylbut-2-enedioate Openeye Name: bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] (E)-2-methylbut-2-enedioate CAS Name: (E)-2-methyl-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)-2-methylbut-2-enedioate Traditional Name: (E)-2-methylbut-2-enedioic acid bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)N1CCC2=CC=CC=C2C1)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C/C(=C\C(=O)OCC(=O)N1CCC2=CC=CC=C2C1)/C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H28N2O6/c1-19(27(33)35-18-25(31)29-13-11-21-7-3-5-9-23(21)16-29)14-26(32)34-17-24(30)28-12-10-20-6-2-4-8-22(20)15-28/h2-9,14H,10-13,15-18H2,1H3/b19-14+