2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid; phenylmethanamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid; phenylmethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid; phenylmethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-4-quinolinecarboxylic acid; phenylmethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid; phenylmethanamine Traditional Name: 2-(1,3-benzodioxol-5-yl)cinchoninic acid; benzylamine Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C17H11NO4.C7H9N/c19-17(20)12-8-14(18-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)22-9-21-15;8-6-7-4-2-1-3-5-7/h1-8H,9H2,(H,19,20);1-5H,6,8H2