8-(6-azanyl-6-oxidanylidene-hexyl)-9-[(3,5-dipropylphenyl)methyl]-5-(2-ethoxy-2-oxidanylidene-ethoxy)carbazole-4-carboxylic acid

Systemtic Name: 8-(6-azanyl-6-oxidanylidene-hexyl)-9-[(3,5-dipropylphenyl)methyl]-5-(2-ethoxy-2-oxidanylidene-ethoxy)carbazole-4-carboxylic acid Openeye Name: 8-(6-amino-6-oxo-hexyl)-9-[(3,5-dipropylphenyl)methyl]-5-(2-ethoxy-2-oxo-ethoxy)carbazole-4-carboxylic acid CAS Name: 8-(6-amino-6-oxohexyl)-9-[(3,5-dipropylphenyl)methyl]-5-(2-ethoxy-2-oxoethoxy)-4-carbazolecarboxylic acid IUPAC Name: 8-(6-amino-6-oxohexyl)-9-[(3,5-dipropylphenyl)methyl]-5-(2-ethoxy-2-oxoethoxy)carbazole-4-carboxylic acid Traditional Name: 8-(6-amino-6-keto-hexyl)-9-(3,5-dipropylbenzyl)-5-(2-ethoxy-2-keto-ethoxy)carbazole-4-carboxylic acid Formula: C36H44N2O6 MolecularWeight: 600.74436

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)CN2C3=CC=CC(=C3C4=C(C=CC(=C42)CCCCCC(=O)N)OCC(=O)OCC)C(=O)O)CCC

Isomeric SMILES

CCCC1=CC(=CC(=C1)CN2C3=CC=CC(=C3C4=C(C=CC(=C42)CCCCCC(=O)N)OCC(=O)OCC)C(=O)O)CCC

InChI

InChI=1S/C36H44N2O6/c1-4-11-24-19-25(12-5-2)21-26(20-24)22-38-29-15-10-14-28(36(41)42)33(29)34-30(44-23-32(40)43-6-3)18-17-27(35(34)38)13-8-7-9-16-31(37)39/h10,14-15,17-21H,4-9,11-13,16,22-23H2,1-3H3,(H2,37,39)(H,41,42)