O4-tert-butyl O1-(phenylmethyl) 3-(hydroxymethyl)indole-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 3-(hydroxymethyl)indole-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 3-(hydroxymethyl)indole-1,4-dicarboxylate CAS Name: 3-(hydroxymethyl)indole-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 3-(hydroxymethyl)indole-1,4-dicarboxylate Traditional Name: 3-methylolindole-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2C(=CC=C1)N(C=C2CO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2C(=CC=C1)N(C=C2CO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-22(2,3)28-20(25)17-10-7-11-18-19(17)16(13-24)12-23(18)21(26)27-14-15-8-5-4-6-9-15/h4-12,24H,13-14H2,1-3H3