2-methyl-6-[3-(quinolin-2-ylmethylamino)propoxymethyl]benzoic acid

Systemtic Name: 2-methyl-6-[3-(quinolin-2-ylmethylamino)propoxymethyl]benzoic acid Openeye Name: 2-methyl-6-[3-(2-quinolylmethylamino)propoxymethyl]benzoic acid CAS Name: 2-methyl-6-[3-(2-quinolinylmethylamino)propoxymethyl]benzoic acid IUPAC Name: 2-methyl-6-[3-(quinolin-2-ylmethylamino)propoxymethyl]benzoic acid Traditional Name: 2-methyl-6-[3-(2-quinolylmethylamino)propoxymethyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCNCC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCNCC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C22H24N2O3/c1-16-6-4-8-18(21(16)22(25)26)15-27-13-5-12-23-14-19-11-10-17-7-2-3-9-20(17)24-19/h2-4,6-11,23H,5,12-15H2,1H3,(H,25,26)