O1-ethyl O4-[2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-[(3R)-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[(3R)-3-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl] ester O1-ethyl ester Formula: C19H21NO7 MolecularWeight: 375.37254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N1CC2=CC=CC=C2CC1C(=O)OC

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)OC

InChI

InChI=1S/C19H21NO7/c1-3-26-17(22)8-9-18(23)27-12-16(21)20-11-14-7-5-4-6-13(14)10-15(20)19(24)25-2/h4-9,15H,3,10-12H2,1-2H3/b9-8+/t15-/m1/s1