3-(hydroxymethyl)-5-methyl-2-(5-oxidanidyl-5-oxidanylidene-pentyl)-1-phenethyl-indole-6-carboxylate

Systemtic Name: 3-(hydroxymethyl)-5-methyl-2-(5-oxidanidyl-5-oxidanylidene-pentyl)-1-phenethyl-indole-6-carboxylate Openeye Name: 3-(hydroxymethyl)-5-methyl-2-(5-oxido-5-oxo-pentyl)-1-phenethyl-indole-6-carboxylate CAS Name: 3-(hydroxymethyl)-5-methyl-2-(5-oxido-5-oxopentyl)-1-phenethyl-6-indolecarboxylate IUPAC Name: 3-(hydroxymethyl)-5-methyl-2-(5-oxido-5-oxopentyl)-1-phenethylindole-6-carboxylate Traditional Name: 2-(5-keto-5-oxido-pentyl)-5-methyl-3-methylol-1-phenethyl-indole-6-carboxylate Formula: C24H25NO5-2 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)CCCCC(=O)[O-])CO)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N2CCC3=CC=CC=C3)CCCCC(=O)[O-])CO)C(=O)[O-]

InChI

InChI=1S/C24H27NO5/c1-16-13-19-20(15-26)21(9-5-6-10-23(27)28)25(22(19)14-18(16)24(29)30)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-14,26H,5-6,9-12,15H2,1H3,(H,27,28)(H,29,30)/p-2