2-[5-aminocarbonyl-9-[(2,4,6-trimethylphenyl)methyl]carbazol-4-yl]oxybutanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(2,4,6-trimethylphenyl)methyl]carbazol-4-yl]oxybutanoic acid Openeye Name: 2-[5-carbamoyl-9-[(2,4,6-trimethylphenyl)methyl]carbazol-4-yl]oxybutanoic acid CAS Name: 2-[[5-carbamoyl-9-[(2,4,6-trimethylphenyl)methyl]-4-carbazolyl]oxy]butanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(2,4,6-trimethylphenyl)methyl]carbazol-4-yl]oxybutanoic acid Traditional Name: 2-[5-carbamoyl-9-(2,4,6-trimethylbenzyl)carbazol-4-yl]oxybutyric acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=C(C=C(C=C4C)C)C)C(=O)N

Isomeric SMILES

CCC(C(=O)O)OC1=CC=CC2=C1C3=C(C=CC=C3N2CC4=C(C=C(C=C4C)C)C)C(=O)N

InChI

InChI=1S/C27H28N2O4/c1-5-22(27(31)32)33-23-11-7-10-21-25(23)24-18(26(28)30)8-6-9-20(24)29(21)14-19-16(3)12-15(2)13-17(19)4/h6-13,22H,5,14H2,1-4H3,(H2,28,30)(H,31,32)