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

Systemtic Name: 2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]benzoic acid Openeye Name: 2-methyl-6-[3-(2-quinolylamino)propoxymethyl]benzoic acid CAS Name: 2-methyl-6-[3-(2-quinolinylamino)propoxymethyl]benzoic acid IUPAC Name: 2-methyl-6-[3-(quinolin-2-ylamino)propoxymethyl]benzoic acid Traditional Name: 2-methyl-6-[3-(2-quinolylamino)propoxymethyl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCNC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCNC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-15-6-4-8-17(20(15)21(24)25)14-26-13-5-12-22-19-11-10-16-7-2-3-9-18(16)23-19/h2-4,6-11H,5,12-14H2,1H3,(H,22,23)(H,24,25)