2-[5-aminocarbonyl-9-[(2-cyanophenyl)methyl]-2-pentyl-carbazol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(2-cyanophenyl)methyl]-2-pentyl-carbazol-4-yl]oxyethanoic acid Openeye Name: 2-[5-carbamoyl-9-[(2-cyanophenyl)methyl]-2-pentyl-carbazol-4-yl]oxyacetic acid CAS Name: 2-[[5-carbamoyl-9-[(2-cyanophenyl)methyl]-2-pentyl-4-carbazolyl]oxy]acetic acid IUPAC Name: 2-[5-carbamoyl-9-[(2-cyanophenyl)methyl]-2-pentylcarbazol-4-yl]oxyacetic acid Traditional Name: 2-[2-amyl-5-carbamoyl-9-(2-cyanobenzyl)carbazol-4-yl]oxyacetic acid Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=C1)OCC(=O)O)C3=C(C=CC=C3N2CC4=CC=CC=C4C#N)C(=O)N

Isomeric SMILES

CCCCCC1=CC2=C(C(=C1)OCC(=O)O)C3=C(C=CC=C3N2CC4=CC=CC=C4C#N)C(=O)N

InChI

InChI=1S/C28H27N3O4/c1-2-3-4-8-18-13-23-27(24(14-18)35-17-25(32)33)26-21(28(30)34)11-7-12-22(26)31(23)16-20-10-6-5-9-19(20)15-29/h5-7,9-14H,2-4,8,16-17H2,1H3,(H2,30,34)(H,32,33)