4-[3-[5-aminocarbonyl-9-[(2-ethylphenyl)methyl]-1-heptyl-carbazol-3-yl]oxypropyl]benzoic acid

Systemtic Name: 4-[3-[5-aminocarbonyl-9-[(2-ethylphenyl)methyl]-1-heptyl-carbazol-3-yl]oxypropyl]benzoic acid Openeye Name: 4-[3-[5-carbamoyl-9-[(2-ethylphenyl)methyl]-1-heptyl-carbazol-3-yl]oxypropyl]benzoic acid CAS Name: 4-[3-[[5-carbamoyl-9-[(2-ethylphenyl)methyl]-1-heptyl-3-carbazolyl]oxy]propyl]benzoic acid IUPAC Name: 4-[3-[5-carbamoyl-9-[(2-ethylphenyl)methyl]-1-heptylcarbazol-3-yl]oxypropyl]benzoic acid Traditional Name: 4-[3-[5-carbamoyl-9-(2-ethylbenzyl)-1-heptyl-carbazol-3-yl]oxypropyl]benzoic acid Formula: C39H44N2O4 MolecularWeight: 604.77766

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C39H44N2O4/c1-3-5-6-7-8-15-30-24-32(45-23-12-13-27-19-21-29(22-20-27)39(43)44)25-34-36-33(38(40)42)17-11-18-35(36)41(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,(H2,40,42)(H,43,44)