6-[3-(4-carboxyphenyl)propoxy]-9-[(2-ethylphenyl)methyl]-8-heptyl-carbazole-4-carboxylic acid

Systemtic Name: 6-[3-(4-carboxyphenyl)propoxy]-9-[(2-ethylphenyl)methyl]-8-heptyl-carbazole-4-carboxylic acid Openeye Name: 6-[3-(4-carboxyphenyl)propoxy]-9-[(2-ethylphenyl)methyl]-8-heptyl-carbazole-4-carboxylic acid CAS Name: 6-[3-(4-carboxyphenyl)propoxy]-9-[(2-ethylphenyl)methyl]-8-heptyl-4-carbazolecarboxylic acid IUPAC Name: 6-[3-(4-carboxyphenyl)propoxy]-9-[(2-ethylphenyl)methyl]-8-heptylcarbazole-4-carboxylic acid Traditional Name: 6-[3-(4-carboxyphenyl)propoxy]-9-(2-ethylbenzyl)-8-heptyl-carbazole-4-carboxylic acid Formula: C39H43NO5 MolecularWeight: 605.76242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C(=CC(=C1)OCCCC3=CC=C(C=C3)C(=O)O)C4=C(C=CC=C4N2CC5=CC=CC=C5CC)C(=O)O

Isomeric SMILES

CCCCCCCC1=C2C(=CC(=C1)OCCCC3=CC=C(C=C3)C(=O)O)C4=C(C=CC=C4N2CC5=CC=CC=C5CC)C(=O)O

InChI

InChI=1S/C39H43NO5/c1-3-5-6-7-8-15-30-24-32(45-23-12-13-27-19-21-29(22-20-27)38(41)42)25-34-36-33(39(43)44)17-11-18-35(36)40(37(30)34)26-31-16-10-9-14-28(31)4-2/h9-11,14,16-22,24-25H,3-8,12-13,15,23,26H2,1-2H3,(H,41,42)(H,43,44)