ethyl (3aR,7aS)-5-(4-bromophenyl)carbonyloxy-1,2-dimethyl-3a,7a-dihydroindole-3-carboxylate

Systemtic Name: ethyl (3aR,7aS)-5-(4-bromophenyl)carbonyloxy-1,2-dimethyl-3a,7a-dihydroindole-3-carboxylate Openeye Name: ethyl (3aR,7aS)-5-(4-bromobenzoyl)oxy-1,2-dimethyl-3a,7a-dihydroindole-3-carboxylate CAS Name: (3aR,7aS)-5-[(4-bromophenyl)-oxomethoxy]-1,2-dimethyl-3a,7a-dihydroindole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-5-(4-bromobenzoyl)oxy-1,2-dimethyl-3a,7a-dihydroindole-3-carboxylate Traditional Name: (3aR,7aS)-5-(4-bromobenzoyl)oxy-1,2-dimethyl-3a,7a-dihydroindole-3-carboxylic acid ethyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N([C@@H]2[C@@H]1C=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C)C

InChI

InChI=1S/C20H20BrNO4/c1-4-25-20(24)18-12(2)22(3)17-10-9-15(11-16(17)18)26-19(23)13-5-7-14(21)8-6-13/h5-11,16-17H,4H2,1-3H3/t16-,17-/m0/s1