4-[[2,2-dimethylpropanoyl(furan-2-ylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[2,2-dimethylpropanoyl(furan-2-ylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[2,2-dimethylpropanoyl(2-furylmethyl)amino]methyl]benzoic acid CAS Name: 4-[[(2,2-dimethyl-1-oxopropyl)-(2-furanylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[2,2-dimethylpropanoyl(furan-2-ylmethyl)amino]methyl]benzoic acid Traditional Name: 4-[[2-furfuryl(pivaloyl)amino]methyl]benzoic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N(CC1=CC=C(C=C1)C(=O)O)CC2=CC=CO2

Isomeric SMILES

CC(C)(C)C(=O)N(CC1=CC=C(C=C1)C(=O)O)CC2=CC=CO2

InChI

InChI=1S/C18H21NO4/c1-18(2,3)17(22)19(12-15-5-4-10-23-15)11-13-6-8-14(9-7-13)16(20)21/h4-10H,11-12H2,1-3H3,(H,20,21)