2-phenylethanamine; 2-pyridin-4-ylquinoline-4-carboxylic acid

Systemtic Name: 2-phenylethanamine; 2-pyridin-4-ylquinoline-4-carboxylic acid Openeye Name: 2-phenylethanamine; 2-(4-pyridyl)quinoline-4-carboxylic acid CAS Name: 2-phenylethanamine; 2-pyridin-4-yl-4-quinolinecarboxylic acid IUPAC Name: 2-phenylethanamine; 2-pyridin-4-ylquinoline-4-carboxylic acid Traditional Name: phenethylamine; 2-(4-pyridyl)cinchoninic acid Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN.C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H10N2O2.C8H11N/c18-15(19)12-9-14(10-5-7-16-8-6-10)17-13-4-2-1-3-11(12)13;9-7-6-8-4-2-1-3-5-8/h1-9H,(H,18,19);1-5H,6-7,9H2