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

Systemtic Name: ethyl (3aR,7aS)-1,2-dimethyl-5-(4-methylphenyl)carbonyloxy-3a,7a-dihydroindole-3-carboxylate Openeye Name: ethyl (3aR,7aS)-1,2-dimethyl-5-(4-methylbenzoyl)oxy-3a,7a-dihydroindole-3-carboxylate CAS Name: (3aR,7aS)-1,2-dimethyl-5-[(4-methylphenyl)-oxomethoxy]-3a,7a-dihydroindole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-1,2-dimethyl-5-(4-methylbenzoyl)oxy-3a,7a-dihydroindole-3-carboxylate Traditional Name: (3aR,7aS)-1,2-dimethyl-5-p-toluoyloxy-3a,7a-dihydroindole-3-carboxylic acid ethyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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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)C)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)C)C)C

InChI

InChI=1S/C21H23NO4/c1-5-25-21(24)19-14(3)22(4)18-11-10-16(12-17(18)19)26-20(23)15-8-6-13(2)7-9-15/h6-12,17-18H,5H2,1-4H3/t17-,18-/m0/s1