O1-methyl O4-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] (E)-but-2-enedioate

Systemtic Name: O1-methyl O4-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] (E)-but-2-enedioate Openeye Name: O1-methyl O4-[2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] ester IUPAC Name: 1-O-methyl 4-O-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-[2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl] ester Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1=CC=CC2=C1CN(CC2)NC3=CC=NC=C3

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1=CC=CC2=C1CN(CC2)NC3=CC=NC=C3

InChI

InChI=1S/C19H19N3O4/c1-25-18(23)5-6-19(24)26-17-4-2-3-14-9-12-22(13-16(14)17)21-15-7-10-20-11-8-15/h2-8,10-11H,9,12-13H2,1H3,(H,20,21)/b6-5+