dimethyl (1S,2S,10bR)-1-chloranyl-3-phenyl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dimethyl (1S,2S,10bR)-1-chloranyl-3-phenyl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: dimethyl (1S,2S,10bR)-1-chloro-3-phenyl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate CAS Name: (1S,2S,10bR)-1-chloro-3-phenyl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2S,10bR)-1-chloro-3-phenyl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: (1S,2S,10bR)-1-chloro-3-phenyl-2,10b-dihydropyrazol[5,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2C3=CC=CC=C3C=CN2N1C4=CC=CC=C4)(C(=O)OC)Cl

Isomeric SMILES

COC(=O)[C@H]1[C@@]([C@H]2C3=CC=CC=C3C=CN2N1C4=CC=CC=C4)(C(=O)OC)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-27-19(25)18-21(22,20(26)28-2)17-16-11-7-6-8-14(16)12-13-23(17)24(18)15-9-4-3-5-10-15/h3-13,17-18H,1-2H3/t17-,18+,21+/m1/s1