2-[5-aminocarbonyl-9-(7-cyanoheptyl)-1-propoxy-carbazol-3-yl]oxybutanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-(7-cyanoheptyl)-1-propoxy-carbazol-3-yl]oxybutanoic acid Openeye Name: 2-[5-carbamoyl-9-(7-cyanoheptyl)-1-propoxy-carbazol-3-yl]oxybutanoic acid CAS Name: 2-[[5-carbamoyl-9-(7-cyanoheptyl)-1-propoxy-3-carbazolyl]oxy]butanoic acid IUPAC Name: 2-[5-carbamoyl-9-(7-cyanoheptyl)-1-propoxycarbazol-3-yl]oxybutanoic acid Traditional Name: 2-[5-carbamoyl-9-(7-cyanoheptyl)-1-propoxy-carbazol-3-yl]oxybutyric acid Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2C(=CC(=C1)OC(CC)C(=O)O)C3=C(C=CC=C3N2CCCCCCCC#N)C(=O)N

Isomeric SMILES

CCCOC1=C2C(=CC(=C1)OC(CC)C(=O)O)C3=C(C=CC=C3N2CCCCCCCC#N)C(=O)N

InChI

InChI=1S/C28H35N3O5/c1-3-16-35-24-18-19(36-23(4-2)28(33)34)17-21-25-20(27(30)32)12-11-13-22(25)31(26(21)24)15-10-8-6-5-7-9-14-29/h11-13,17-18,23H,3-10,15-16H2,1-2H3,(H2,30,32)(H,33,34)