3-methoxy-4-[[4-methyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methoxy]benzoic acid

Systemtic Name: 3-methoxy-4-[[4-methyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methoxy]benzoic acid Openeye Name: 3-methoxy-4-[[4-methyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methoxy]benzoic acid CAS Name: 3-methoxy-4-[[4-methyl-1-(3-methyl-1-oxobutyl)-2-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 3-methoxy-4-[[4-methyl-1-(3-methylbutanoyl)pyrrolidin-2-yl]methoxy]benzoic acid Traditional Name: 4-[(1-isovaleryl-4-methyl-pyrrolidin-2-yl)methoxy]-3-methoxy-benzoic acid Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C(=O)CC(C)C)COC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC1CC(N(C1)C(=O)CC(C)C)COC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C19H27NO5/c1-12(2)7-18(21)20-10-13(3)8-15(20)11-25-16-6-5-14(19(22)23)9-17(16)24-4/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3,(H,22,23)