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

Systemtic Name: methyl carbamate; O1-methyl O4-[2-(pyridin-4-ylamino)-3,4-dihydro-1H-isoquinolin-8-yl] (E)-but-2-enedioate Openeye Name: methyl carbamate; 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; carbamic acid methyl ester IUPAC Name: methyl carbamate; 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; carbamic acid methyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4.C2H5NO2/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;1-5-2(3)4/h2-8,10-11H,9,12-13H2,1H3,(H,20,21);1H3,(H2,3,4)/b6-5+;