2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-(furan-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-(furan-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-5-(furan-2-carbonylamino)benzoic acid CAS Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-5-[[2-furanyl(oxo)methyl]amino]benzoic acid IUPAC Name: 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-(furan-2-carbonylamino)benzoic acid Traditional Name: 2-[(3S,5R)-3,5-dimethylpiperidino]-5-(2-furoylamino)benzoic acid Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)C(=O)O)C

InChI

InChI=1S/C19H22N2O4/c1-12-8-13(2)11-21(10-12)16-6-5-14(9-15(16)19(23)24)20-18(22)17-4-3-7-25-17/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,23,24)/t12-,13+