(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H20N2O4/c25-20-17-11-5-4-10-16(17)14-18(23-20)22(27)28-19(15-8-2-1-3-9-15)21(26)24-12-6-7-13-24/h1-5,8-11,14,19H,6-7,12-13H2,(H,23,25)