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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCCCCCNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

InChI

InChI=1S/C19H28N2O5/c1-2-3-4-5-10-20-15-11-14(18(25)26)6-7-16(15)21-17(24)8-9-19(21,12-22)13-23/h6-7,11,20,22-23H,2-5,8-10,12-13H2,1H3,(H,25,26)