9-(7-cyanoheptyl)-6-(1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-8-propoxy-carbazole-4-carboxylic acid

Systemtic Name: 9-(7-cyanoheptyl)-6-(1-oxidanyl-1-oxidanylidene-butan-2-yl)oxy-8-propoxy-carbazole-4-carboxylic acid Openeye Name: 6-(1-carboxypropoxy)-9-(7-cyanoheptyl)-8-propoxy-carbazole-4-carboxylic acid CAS Name: 9-(7-cyanoheptyl)-6-(1-hydroxy-1-oxobutan-2-yl)oxy-8-propoxy-4-carbazolecarboxylic acid IUPAC Name: 9-(7-cyanoheptyl)-6-(1-hydroxy-1-oxobutan-2-yl)oxy-8-propoxycarbazole-4-carboxylic acid Traditional Name: 6-(1-carboxypropoxy)-9-(7-cyanoheptyl)-8-propoxy-carbazole-4-carboxylic acid Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1)OC(CC)C(=O)O)C3=C(C=CC=C3N2CCCCCCCC#N)C(=O)O

Isomeric SMILES

CCCOC1=C2C(=CC(=C1)OC(CC)C(=O)O)C3=C(C=CC=C3N2CCCCCCCC#N)C(=O)O

InChI

InChI=1S/C28H34N2O6/c1-3-16-35-24-18-19(36-23(4-2)28(33)34)17-21-25-20(27(31)32)12-11-13-22(25)30(26(21)24)15-10-8-6-5-7-9-14-29/h11-13,17-18,23H,3-10,15-16H2,1-2H3,(H,31,32)(H,33,34)