O2-methyl O5-(phenylmethyl) 4-methyl-7-(3-oxidanylpropoxy)-1H-indole-2,5-dicarboxylate

Systemtic Name: O2-methyl O5-(phenylmethyl) 4-methyl-7-(3-oxidanylpropoxy)-1H-indole-2,5-dicarboxylate Openeye Name: O5-benzyl O2-methyl 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate CAS Name: 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylic acid O2-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 2-O-methyl 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylate Traditional Name: 7-(3-hydroxypropoxy)-4-methyl-1H-indole-2,5-dicarboxylic acid O5-benzyl ester O2-methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(NC2=C(C=C1C(=O)OCC3=CC=CC=C3)OCCCO)C(=O)OC

Isomeric SMILES

CC1=C2C=C(NC2=C(C=C1C(=O)OCC3=CC=CC=C3)OCCCO)C(=O)OC

InChI

InChI=1S/C22H23NO6/c1-14-16-11-18(22(26)27-2)23-20(16)19(28-10-6-9-24)12-17(14)21(25)29-13-15-7-4-3-5-8-15/h3-5,7-8,11-12,23-24H,6,9-10,13H2,1-2H3