[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H18N2O4/c24-19-16-9-5-4-8-14(16)12-17(23-19)21(26)27-18(13-6-2-1-3-7-13)20(25)22-15-10-11-15/h1-9,12,15,18H,10-11H2,(H,22,25)(H,23,24)/t18-/m1/s1