O4-tert-butyl O1-(phenylmethyl) indole-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) indole-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl indole-1,4-dicarboxylate CAS Name: indole-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl indole-1,4-dicarboxylate Traditional Name: indole-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2C=CN(C2=CC=C1)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2C=CN(C2=CC=C1)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-21(2,3)26-19(23)17-10-7-11-18-16(17)12-13-22(18)20(24)25-14-15-8-5-4-6-9-15/h4-13H,14H2,1-3H3