2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methyl-benzoic acid

Systemtic Name: 2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methyl-benzoic acid Openeye Name: 2-[[2,2-dimethyl-3-(2-quinolylmethoxy)propoxy]methyl]-6-methyl-benzoic acid CAS Name: 2-[[2,2-dimethyl-3-(2-quinolinylmethoxy)propoxy]methyl]-6-methylbenzoic acid IUPAC Name: 2-[[2,2-dimethyl-3-(quinolin-2-ylmethoxy)propoxy]methyl]-6-methylbenzoic acid Traditional Name: 2-[[2,2-dimethyl-3-(2-quinolylmethoxy)propoxy]methyl]-6-methyl-benzoic acid Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCC(C)(C)COCC2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COCC(C)(C)COCC2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C24H27NO4/c1-17-7-6-9-19(22(17)23(26)27)13-28-15-24(2,3)16-29-14-20-12-11-18-8-4-5-10-21(18)25-20/h4-12H,13-16H2,1-3H3,(H,26,27)