phenylmethanamine; 6-propoxypyridine-3-carboxylic acid

Systemtic Name: phenylmethanamine; 6-propoxypyridine-3-carboxylic acid Openeye Name: phenylmethanamine; 6-propoxypyridine-3-carboxylic acid CAS Name: phenylmethanamine; 6-propoxy-3-pyridinecarboxylic acid IUPAC Name: phenylmethanamine; 6-propoxypyridine-3-carboxylic acid Traditional Name: benzylamine; 6-propoxynicotinic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CCCOC1=NC=C(C=C1)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C9H11NO3.C7H9N/c1-2-5-13-8-4-3-7(6-10-8)9(11)12;8-6-7-4-2-1-3-5-7/h3-4,6H,2,5H2,1H3,(H,11,12);1-5H,6,8H2