(phenylmethyl) (2S)-3a-methoxy-2,4-dimethyl-4-oxidanyl-1-oxidanylidene-2H-imidazo[1,2-a]indole-3-carboxylate

Systemtic Name: (phenylmethyl) (2S)-3a-methoxy-2,4-dimethyl-4-oxidanyl-1-oxidanylidene-2H-imidazo[1,2-a]indole-3-carboxylate Openeye Name: benzyl (2S)-4-hydroxy-3a-methoxy-2,4-dimethyl-1-oxo-2H-imidazo[1,2-a]indole-3-carboxylate CAS Name: (2S)-4-hydroxy-3a-methoxy-2,4-dimethyl-1-oxo-2H-imidazo[1,2-a]indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-hydroxy-3a-methoxy-2,4-dimethyl-1-oxo-2H-imidazo[1,2-a]indole-3-carboxylate Traditional Name: (2S)-4-hydroxy-1-keto-3a-methoxy-2,4-dimethyl-2H-imidaz[1,2-a]indole-3-carboxylic acid benzyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N2C3=CC=CC=C3C(C2(N1C(=O)OCC4=CC=CC=C4)OC)(C)O

Isomeric SMILES

C[C@H]1C(=O)N2C3=CC=CC=C3C(C2(N1C(=O)OCC4=CC=CC=C4)OC)(C)O

InChI

InChI=1S/C21H22N2O5/c1-14-18(24)23-17-12-8-7-11-16(17)20(2,26)21(23,27-3)22(14)19(25)28-13-15-9-5-4-6-10-15/h4-12,14,26H,13H2,1-3H3/t14-,20?,21?/m0/s1