2-[5-aminocarbonyl-9-(1,3-benzodioxol-5-ylmethyl)pyrido[3,4-b]indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-(1,3-benzodioxol-5-ylmethyl)pyrido[3,4-b]indol-4-yl]oxyethanoic acid Openeye Name: 2-[9-(1,3-benzodioxol-5-ylmethyl)-5-carbamoyl-pyrido[3,4-b]indol-4-yl]oxyacetic acid CAS Name: 2-[[9-(1,3-benzodioxol-5-ylmethyl)-5-carbamoyl-4-pyrido[3,4-b]indolyl]oxy]acetic acid IUPAC Name: 2-[9-(1,3-benzodioxol-5-ylmethyl)-5-carbamoylpyrido[3,4-b]indol-4-yl]oxyacetic acid Traditional Name: 2-[(5-carbamoyl-9-piperonyl-$b-carbolin-4-yl)oxy]acetic acid Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC(=C4C5=C(C=NC=C53)OCC(=O)O)C(=O)N

InChI

InChI=1S/C22H17N3O6/c23-22(28)13-2-1-3-14-20(13)21-15(7-24-8-18(21)29-10-19(26)27)25(14)9-12-4-5-16-17(6-12)31-11-30-16/h1-8H,9-11H2,(H2,23,28)(H,26,27)