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

Systemtic Name: O4-[7-methoxy-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] O1-methyl (E)-but-2-enedioate; methyl carbamate Openeye Name: O4-[7-methoxy-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl] O1-methyl (E)-but-2-enedioate; methyl carbamate CAS Name: (E)-2-butenedioic acid O4-[7-methoxy-2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] ester O1-methyl ester; carbamic acid 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; methyl carbamate Traditional Name: (E)-but-2-enedioic acid O4-[7-methoxy-2-(4-pyridylamino)-3,4-dihydro-1H-isoquinolin-8-yl] ester O1-methyl ester; carbamic acid methyl ester Formula: C22H26N4O7 MolecularWeight: 458.46444

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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.COC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5.C2H5NO2/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;1-5-2(3)4/h3-8,10-11H,9,12-13H2,1-2H3,(H,21,22);1H3,(H2,3,4)/b6-5+;