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

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(2-ethylbutylamino)benzoic acid Openeye Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(2-ethylbutylamino)benzoic acid CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(2-ethylbutylamino)benzoic acid IUPAC Name: 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(2-ethylbutylamino)benzoic acid Traditional Name: 3-(2-ethylbutylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCC(CC)CNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

InChI

InChI=1S/C19H28N2O5/c1-3-13(4-2)10-20-15-9-14(18(25)26)5-6-16(15)21-17(24)7-8-19(21,11-22)12-23/h5-6,9,13,20,22-23H,3-4,7-8,10-12H2,1-2H3,(H,25,26)