4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(2-ethylbutanoylamino)benzoic acid

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(2-ethylbutanoylamino)benzoic acid Openeye Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(2-ethylbutanoylamino)benzoic acid CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(2-ethyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(2-ethylbutanoylamino)benzoic acid Traditional Name: 3-(2-ethylbutanoylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

InChI

InChI=1S/C19H26N2O6/c1-3-12(4-2)17(25)20-14-9-13(18(26)27)5-6-15(14)21-16(24)7-8-19(21,10-22)11-23/h5-6,9,12,22-23H,3-4,7-8,10-11H2,1-2H3,(H,20,25)(H,26,27)