2-methyl-6-[4-(quinolin-2-ylamino)butoxymethyl]benzoic acid

Systemtic Name: 2-methyl-6-[4-(quinolin-2-ylamino)butoxymethyl]benzoic acid Openeye Name: 2-methyl-6-[4-(2-quinolylamino)butoxymethyl]benzoic acid CAS Name: 2-methyl-6-[4-(2-quinolinylamino)butoxymethyl]benzoic acid IUPAC Name: 2-methyl-6-[4-(quinolin-2-ylamino)butoxymethyl]benzoic acid Traditional Name: 2-methyl-6-[4-(2-quinolylamino)butoxymethyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCCNC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCCNC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

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