4-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoic acid

Systemtic Name: 4-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoic acid Openeye Name: 4-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methyl-oxazol-2-yl]benzoic acid CAS Name: 4-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methyl-2-oxazolyl]benzoic acid IUPAC Name: 4-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoic acid Traditional Name: 4-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methyl-oxazol-2-yl]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CN3CCCC4=CC=CC=C43

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CN3CCCC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3/c1-14-18(13-23-12-4-6-15-5-2-3-7-19(15)23)22-20(26-14)16-8-10-17(11-9-16)21(24)25/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,24,25)