(4-chlorophenyl)methanamine; 2-(3-propoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: (4-chlorophenyl)methanamine; 2-(3-propoxyphenyl)quinoline-4-carboxylic acid Openeye Name: (4-chlorophenyl)methanamine; 2-(3-propoxyphenyl)quinoline-4-carboxylic acid CAS Name: (4-chlorophenyl)methanamine; 2-(3-propoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: (4-chlorophenyl)methanamine; 2-(3-propoxyphenyl)quinoline-4-carboxylic acid Traditional Name: (4-chlorobenzyl)amine; 2-(3-propoxyphenyl)cinchoninic acid Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC(=CC=C1CN)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O.C1=CC(=CC=C1CN)Cl

InChI

InChI=1S/C19H17NO3.C7H8ClN/c1-2-10-23-14-7-5-6-13(11-14)18-12-16(19(21)22)15-8-3-4-9-17(15)20-18;8-7-3-1-6(5-9)2-4-7/h3-9,11-12H,2,10H2,1H3,(H,21,22);1-4H,5,9H2