[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5CC5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)O[C@H](C4=CC=CC=C4)C(=O)NC5CC5

InChI

InChI=1S/C24H22N2O3/c27-23(25-17-12-13-17)22(16-6-2-1-3-7-16)29-24(28)19-14-21(15-10-11-15)26-20-9-5-4-8-18(19)20/h1-9,14-15,17,22H,10-13H2,(H,25,27)/t22-/m1/s1