O4-[7-methoxy-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] O1-methyl (E)-but-2-enedioate

Systemtic Name: O4-[7-methoxy-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] O1-methyl (E)-but-2-enedioate Openeye Name: O4-[7-methoxy-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl] O1-methyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[7-methoxy-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] ester O1-methyl ester IUPAC Name: 4-O-[7-methoxy-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] 1-O-methyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[7-methoxy-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl] ester O1-methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CCN(C2)NC3=CC=NC=C3)C=C1)OC(=O)C=CC(=O)OC

Isomeric SMILES

COC1=C(C2=C(CCN(C2)NC3=CC=NC=C3)C=C1)OC(=O)/C=C/C(=O)OC

InChI

InChI=1S/C20H21N3O5/c1-26-17-4-3-14-9-12-23(22-15-7-10-21-11-8-15)13-16(14)20(17)28-19(25)6-5-18(24)27-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,21,22)/b6-5+