O1-tert-butyl O5-ethyl 3-(2-imidazol-1-ylethyl)-2,3-dihydroindole-1,5-dicarboxylate

Systemtic Name: O1-tert-butyl O5-ethyl 3-(2-imidazol-1-ylethyl)-2,3-dihydroindole-1,5-dicarboxylate Openeye Name: O1-tert-butyl O5-ethyl 3-(2-imidazol-1-ylethyl)indoline-1,5-dicarboxylate CAS Name: 3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindole-1,5-dicarboxylic acid O1-tert-butyl ester O5-ethyl ester IUPAC Name: 1-O-tert-butyl 5-O-ethyl 3-(2-imidazol-1-ylethyl)-2,3-dihydroindole-1,5-dicarboxylate Traditional Name: 3-(2-imidazol-1-ylethyl)indoline-1,5-dicarboxylic acid O1-tert-butyl ester O5-ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O4/c1-5-27-19(25)15-6-7-18-17(12-15)16(8-10-23-11-9-22-14-23)13-24(18)20(26)28-21(2,3)4/h6-7,9,11-12,14,16H,5,8,10,13H2,1-4H3