methyl (2S,3aR)-2-phenyl-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate

Systemtic Name: methyl (2S,3aR)-2-phenyl-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate Openeye Name: methyl (2S,3aR)-2-phenyl-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate CAS Name: (2S,3aR)-2-phenyl-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3aR)-2-phenyl-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate Traditional Name: (2S,3aR)-2-phenyl-1,3,3a,4-tetrahydropyrazol[1,5-a]indole-2-carboxylic acid methyl ester Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2CC3=CC=CC=C3N2N1)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@]1(C[C@H]2CC3=CC=CC=C3N2N1)C4=CC=CC=C4

InChI

InChI=1S/C18H18N2O2/c1-22-17(21)18(14-8-3-2-4-9-14)12-15-11-13-7-5-6-10-16(13)20(15)19-18/h2-10,15,19H,11-12H2,1H3/t15-,18+/m1/s1