7-(5-cyanopentyl)-6-(2-methoxy-2-oxidanylidene-ethoxy)-9-tridecyl-carbazole-4-carboxylic acid

Systemtic Name: 7-(5-cyanopentyl)-6-(2-methoxy-2-oxidanylidene-ethoxy)-9-tridecyl-carbazole-4-carboxylic acid Openeye Name: 7-(5-cyanopentyl)-6-(2-methoxy-2-oxo-ethoxy)-9-tridecyl-carbazole-4-carboxylic acid CAS Name: 7-(5-cyanopentyl)-6-(2-methoxy-2-oxoethoxy)-9-tridecyl-4-carbazolecarboxylic acid IUPAC Name: 7-(5-cyanopentyl)-6-(2-methoxy-2-oxoethoxy)-9-tridecylcarbazole-4-carboxylic acid Traditional Name: 7-(5-cyanopentyl)-6-(2-keto-2-methoxy-ethoxy)-9-tridecyl-carbazole-4-carboxylic acid Formula: C35H48N2O5 MolecularWeight: 576.76602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN1C2=CC=CC(=C2C3=CC(=C(C=C31)CCCCCC#N)OCC(=O)OC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCN1C2=CC=CC(=C2C3=CC(=C(C=C31)CCCCCC#N)OCC(=O)OC)C(=O)O

InChI

InChI=1S/C35H48N2O5/c1-3-4-5-6-7-8-9-10-11-14-17-23-37-30-21-18-20-28(35(39)40)34(30)29-25-32(42-26-33(38)41-2)27(24-31(29)37)19-15-12-13-16-22-36/h18,20-21,24-25H,3-17,19,23,26H2,1-2H3,(H,39,40)