2-[5-aminocarbonyl-9-[(4-tert-butylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(4-tert-butylphenyl)methyl]pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[9-[(4-tert-butylphenyl)methyl]-5-carbamoyl-pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[9-[(4-tert-butylphenyl)methyl]-5-carbamoyl-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[9-[(4-tert-butylphenyl)methyl]-5-carbamoylpyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[[9-(4-tert-butylbenzyl)-5-carbamoyl-$b-carbolin-4-yl]oxy]acetic acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC(=C3C4=C(C=NC=C42)OCC(=O)O)C(=O)N

InChI

InChI=1S/C25H25N3O4/c1-25(2,3)16-9-7-15(8-10-16)13-28-18-6-4-5-17(24(26)31)22(18)23-19(28)11-27-12-20(23)32-14-21(29)30/h4-12H,13-14H2,1-3H3,(H2,26,31)(H,29,30)